[2-chloranyl-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-chloranyl-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-chloro-6-(4-methoxyphenyl)-7-pyrrolo[2,1-d][1,5]benzothiazepinyl] ester IUPAC Name: [2-chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl] ester Formula: C29H24ClNO6S MolecularWeight: 550.02196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C3=CC=CN3C4=C(S2)C=CC(=C4)Cl)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C3=CC=CN3C4=C(S2)C=CC(=C4)Cl)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C29H24ClNO6S/c1-33-20-10-7-17(8-11-20)28-26(21-6-5-13-31(21)22-16-19(30)9-12-25(22)38-28)37-29(32)18-14-23(34-2)27(36-4)24(15-18)35-3/h5-16H,1-4H3