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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

COC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

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