[(E)-3-phenylprop-2-enyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [(E)-cinnamyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [(E)-cinnamyl] ester Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC=CC3=CC=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OC/C=C/C3=CC=CC=C3)NC1=O

InChI

InChI=1S/C19H17NO3S/c21-18-10-12-24-17-9-8-15(13-16(17)20-18)19(22)23-11-4-7-14-5-2-1-3-6-14/h1-9,13H,10-12H2,(H,20,21)/b7-4+