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

Systemtic Name: methyl 2-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S2/c1-12-13(2)26-18(17(12)19(23)24-3)20-16(22)11-21-9-6-10-25-15-8-5-4-7-14(15)21/h4-5,7-8H,6,9-11H2,1-3H3,(H,20,22)