[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H21NO4S/c1-24-17-5-3-4-16(12-17)13-21-19(22)14-25-20(23)11-8-15-6-9-18(26-2)10-7-15/h3-12H,13-14H2,1-2H3,(H,21,22)/b11-8+