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

Systemtic Name: (phenylmethyl) 2-(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C2S1)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)NC2=CC=CC=C2S1)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H17NO3S/c20-17(22-11-13-6-2-1-3-7-13)10-14-12-23-16-9-5-4-8-15(16)19-18(14)21/h1-9,14H,10-12H2,(H,19,21)