ethyl (Z)-3-(4-methylsulfanylphenyl)-4-(phenylmethoxycarbonylamino)but-2-enoate

Systemtic Name: ethyl (Z)-3-(4-methylsulfanylphenyl)-4-(phenylmethoxycarbonylamino)but-2-enoate Openeye Name: ethyl (Z)-4-(benzyloxycarbonylamino)-3-(4-methylsulfanylphenyl)but-2-enoate CAS Name: (Z)-3-[4-(methylthio)phenyl]-4-(phenylmethoxycarbonylamino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(4-methylsulfanylphenyl)-4-(phenylmethoxycarbonylamino)but-2-enoate Traditional Name: (Z)-4-(benzyloxycarbonylamino)-3-[4-(methylthio)phenyl]but-2-enoic acid ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(CNC(=O)OCC1=CC=CC=C1)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)/C=C(\CNC(=O)OCC1=CC=CC=C1)/C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H23NO4S/c1-3-25-20(23)13-18(17-9-11-19(27-2)12-10-17)14-22-21(24)26-15-16-7-5-4-6-8-16/h4-13H,3,14-15H2,1-2H3,(H,22,24)/b18-13+