(1S,5R)-7-[2-[2-[2,6-bis(chloranyl)-4-[(1S)-1-oxidanylethyl]phenoxy]ethoxy]-1,3-thiazol-5-yl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1S,5R)-7-[2-[2-[2,6-bis(chloranyl)-4-[(1S)-1-oxidanylethyl]phenoxy]ethoxy]-1,3-thiazol-5-yl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1S,5R)-N-cyclopropyl-7-[2-[2-[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]ethoxy]thiazol-5-yl]-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1S,5R)-N-cyclopropyl-7-[2-[2-[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]ethoxy]-5-thiazolyl]-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1S,5R)-N-cyclopropyl-7-[2-[2-[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]ethoxy]-1,3-thiazol-5-yl]-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1S,5R)-N-cyclopropyl-7-[2-[2-[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]ethoxy]thiazol-5-yl]-N-(3-methoxy-2-methyl-benzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C33H38Cl2N4O5S MolecularWeight: 673.64962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)C5=CN=C(S5)OCCOC6=C(C=C(C=C6Cl)C(C)O)Cl

Isomeric SMILES

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)C5=CN=C(S5)OCCOC6=C(C=C(C=C6Cl)[C@H](C)O)Cl

InChI

InChI=1S/C33H38Cl2N4O5S/c1-18-20(5-4-6-28(18)42-3)17-39(23-7-8-23)32(41)30-24(13-22-14-36-15-27(30)38-22)29-16-37-33(45-29)44-10-9-43-31-25(34)11-21(19(2)40)12-26(31)35/h4-6,11-12,16,19,22-23,27,36,38,40H,7-10,13-15,17H2,1-3H3/t19-,22-,27-/m0/s1