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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C)OC

InChI

InChI=1S/C24H27NO5S/c1-4-29-20-11-9-18(15-21(20)28-3)10-12-24(27)30-16-23(26)25-14-13-17(2)31-22-8-6-5-7-19(22)25/h5-12,15,17H,4,13-14,16H2,1-3H3/b12-10+