ethyl 2,4-dimethyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(SC3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC(SC3=CC=CC=C32)C)C

InChI

InChI=1S/C20H24N2O3S/c1-5-25-20(24)17-13(3)18(21-14(17)4)19(23)22-11-10-12(2)26-16-9-7-6-8-15(16)22/h6-9,12,21H,5,10-11H2,1-4H3