[2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[4-(acetamidomethyl)phenyl]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[4-(acetamidomethyl)phenyl]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[4-(acetamidomethyl)phenyl]-2-keto-ethyl] ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C20H19NO4S/c1-15(22)21-13-16-7-9-17(10-8-16)19(23)14-25-20(24)11-12-26-18-5-3-2-4-6-18/h2-12H,13-14H2,1H3,(H,21,22)/b12-11+