[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] (E)-3-(p-tolyl)prop-2-enoate CAS Name: (E)-3-(4-methylphenyl)-2-propenoic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(p-tolyl)acrylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C=CC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)/C=C/C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23NO3S/c1-16-7-9-18(10-8-16)11-12-22(25)26-15-21(24)23-14-13-17(2)27-20-6-4-3-5-19(20)23/h3-12,17H,13-15H2,1-2H3/b12-11+