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

Systemtic Name: ethyl (E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(4-methoxyanilino)-3-sulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-mercapto-3-(4-methoxyanilino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(4-methoxyanilino)-3-sulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-mercapto-3-(p-anisidino)acrylic acid ethyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)OC)S)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=CC=C(C=C1)OC)/S)/C#N

InChI

InChI=1S/C13H14N2O3S/c1-3-18-13(16)11(8-14)12(19)15-9-4-6-10(17-2)7-5-9/h4-7,15,19H,3H2,1-2H3/b12-11+