[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C20H21NO4S/c1-24-17-9-7-16(8-10-17)11-13-21-19(22)15-25-20(23)12-14-26-18-5-3-2-4-6-18/h2-10,12,14H,11,13,15H2,1H3,(H,21,22)/b14-12+