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

Systemtic Name: methyl 2-(2,2-dimethyl-4-oxidanylidene-3H-1,5-benzothiazepin-5-yl)ethanoate Openeye Name: methyl 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetate CAS Name: 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetic acid methyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)OC)C

Isomeric SMILES

CC1(CC(=O)N(C2=CC=CC=C2S1)CC(=O)OC)C

InChI

InChI=1S/C14H17NO3S/c1-14(2)8-12(16)15(9-13(17)18-3)10-6-4-5-7-11(10)19-14/h4-7H,8-9H2,1-3H3