ethyl N-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]carbamate Openeye Name: ethyl N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]carbamate CAS Name: N-[3-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]carbamate Traditional Name: N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]carbamic acid ethyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C20H22N2O3S/c1-3-25-20(24)21-16-8-6-7-15(13-16)19(23)22-12-11-14(2)26-18-10-5-4-9-17(18)22/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,24)