4-azido-N-[2-[2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]benzamide

Systemtic Name: 4-azido-N-[2-[2-(4-methoxyphenyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]benzamide Openeye Name: 4-azido-N-[2-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]benzamide CAS Name: 4-azido-N-[2-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]benzamide IUPAC Name: 4-azido-N-[2-[3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]benzamide Traditional Name: 4-azido-N-[2-[3-hydroxy-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]benzamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCNC(=O)C4=CC=C(C=C4)N=[N+]=[N-])O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CCNC(=O)C4=CC=C(C=C4)N=[N+]=[N-])O

InChI

InChI=1S/C25H23N5O4S/c1-34-19-12-8-16(9-13-19)23-22(31)25(33)30(20-4-2-3-5-21(20)35-23)15-14-27-24(32)17-6-10-18(11-7-17)28-29-26/h2-13,22-23,31H,14-15H2,1H3,(H,27,32)