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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-ethoxybenzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic 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] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C21H23NO4S/c1-3-25-18-10-6-4-8-16(18)21(24)26-14-20(23)22-13-12-15(2)27-19-11-7-5-9-17(19)22/h4-11,15H,3,12-14H2,1-2H3