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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CSC2=CC=CC=C2NC1=O

Isomeric SMILES

COC(=O)CC1CSC2=CC=CC=C2NC1=O

InChI

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