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

Systemtic Name: 5-[(3-methylphenyl)methyl]-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-(m-tolylmethyl)-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(3-methylphenyl)methyl]-3-[oxo(1-pyrrolidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(3-methylphenyl)methyl]-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(3-methylbenzyl)-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C26H24N2O2S/c1-18-7-6-8-19(15-18)17-28-22-16-20(25(29)27-13-4-5-14-27)11-12-24(22)31-23-10-3-2-9-21(23)26(28)30/h2-3,6-12,15-16H,4-5,13-14,17H2,1H3