[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(S3)C(=O)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(S3)C(=O)C

InChI

InChI=1S/C19H19NO4S2/c1-12-9-10-20(14-5-3-4-6-16(14)25-12)18(22)11-24-19(23)17-8-7-15(26-17)13(2)21/h3-8,12H,9-11H2,1-2H3