(phenylmethyl) 2-cyano-3-[(4-methoxyphenyl)amino]-3-sulfanyl-prop-2-enoate

Systemtic Name: (phenylmethyl) 2-cyano-3-[(4-methoxyphenyl)amino]-3-sulfanyl-prop-2-enoate Openeye Name: benzyl 2-cyano-3-(4-methoxyanilino)-3-sulfanyl-prop-2-enoate CAS Name: 2-cyano-3-mercapto-3-(4-methoxyanilino)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-cyano-3-(4-methoxyanilino)-3-sulfanylprop-2-enoate Traditional Name: 2-cyano-3-mercapto-3-(p-anisidino)acrylic acid benzyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=C(C#N)C(=O)OCC2=CC=CC=C2)S

Isomeric SMILES

COC1=CC=C(C=C1)NC(=C(C#N)C(=O)OCC2=CC=CC=C2)S

InChI

InChI=1S/C18H16N2O3S/c1-22-15-9-7-14(8-10-15)20-17(24)16(11-19)18(21)23-12-13-5-3-2-4-6-13/h2-10,20,24H,12H2,1H3