methyl 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxidanylidene-ethanoate Openeye Name: methyl 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxo-acetate CAS Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetate Traditional Name: 2-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-keto-acetic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)N1CCSC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)C(=O)N1CCSC2=CC=CC=C2C1

InChI

InChI=1S/C12H13NO3S/c1-16-12(15)11(14)13-6-7-17-10-5-3-2-4-9(10)8-13/h2-5H,6-8H2,1H3