[7-[methyl-[[3-[2-[[(2R)-2-oxidanyl-2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]phenyl]methyl]amino]-3-bicyclo[2.2.1]heptanyl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [7-[methyl-[[3-[2-[[(2R)-2-oxidanyl-2-(2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]phenyl]methyl]amino]-3-bicyclo[2.2.1]heptanyl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [7-[[3-[2-[[(2R)-2-hydroxy-2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]phenyl]methyl-methyl-amino]norbornan-2-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [7-[[3-[2-[[(2R)-2-hydroxy-2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]phenyl]methyl-methylamino]-3-bicyclo[2.2.1]heptanyl] ester IUPAC Name: [7-[[3-[2-[[(2R)-2-hydroxy-2-(2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]phenyl]methyl-methylamino]-3-bicyclo[2.2.1]heptanyl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [7-[[3-[2-[[(2R)-2-hydroxy-2-(2-keto-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]benzyl]-methyl-amino]norbornan-2-yl] ester Formula: C36H39N3O5S3 MolecularWeight: 689.90696

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)CCNCC(C2=C3C(=CC=C2)NC(=O)S3)O)C4C5CCC4C(C5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O

Isomeric SMILES

CN(CC1=CC=CC(=C1)CCNC[C@@H](C2=C3C(=CC=C2)NC(=O)S3)O)C4C5CCC4C(C5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O

InChI

InChI=1S/C36H39N3O5S3/c1-39(21-23-7-2-6-22(18-23)14-15-37-20-28(40)25-8-3-9-27-33(25)47-35(42)38-27)32-24-12-13-26(32)29(19-24)44-34(41)36(43,30-10-4-16-45-30)31-11-5-17-46-31/h2-11,16-18,24,26,28-29,32,37,40,43H,12-15,19-21H2,1H3,(H,38,42)/t24?,26?,28-,29?,32?/m0/s1