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

Systemtic Name: methyl 5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C19H22N2O3S/c1-12-17(19(23)24-3)13(2)20-18(12)15(22)11-21-9-6-10-25-16-8-5-4-7-14(16)21/h4-5,7-8,20H,6,9-11H2,1-3H3