[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NCCSC2=CC=CC=C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NCCSC2=CC=CC=C2)O

InChI

InChI=1S/C20H21NO5S/c1-25-18-13-15(7-9-17(18)22)8-10-20(24)26-14-19(23)21-11-12-27-16-5-3-2-4-6-16/h2-10,13,22H,11-12,14H2,1H3,(H,21,23)/b10-8+