5-[(4-ethoxyphenyl)methyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-ethoxybenzyl)-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O3S/c1-2-32-21-12-9-19(10-13-21)18-29-23-17-20(26(30)28-15-5-6-16-28)11-14-25(23)33-24-8-4-3-7-22(24)27(29)31/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3