methyl 2-(7-methyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate

Systemtic Name: methyl 2-(7-methyl-5-oxidanylidene-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)ethanoate Openeye Name: methyl 2-(7-methyl-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate CAS Name: 2-(7-methyl-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-methyl-5-oxo-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetate Traditional Name: 2-(5-keto-7-methyl-3,4-dihydro-2H-1,4-benzothiazepin-2-yl)acetic acid methyl ester Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(CNC2=O)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(CNC2=O)CC(=O)OC

InChI

InChI=1S/C13H15NO3S/c1-8-3-4-11-10(5-8)13(16)14-7-9(18-11)6-12(15)17-2/h3-5,9H,6-7H2,1-2H3,(H,14,16)