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

Systemtic Name: (phenylmethyl) 3-[(4-chlorophenyl)amino]-2-cyano-3-sulfanyl-prop-2-enoate Openeye Name: benzyl 3-(4-chloroanilino)-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: 3-(4-chloroanilino)-2-cyano-3-mercapto-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-chloroanilino)-2-cyano-3-sulfanylprop-2-enoate Traditional Name: 3-(4-chloroanilino)-2-cyano-3-mercapto-acrylic acid benzyl ester Formula: C17H13ClN2O2S MolecularWeight: 344.81532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=C(NC2=CC=C(C=C2)Cl)S)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=C(NC2=CC=C(C=C2)Cl)S)C#N

InChI

InChI=1S/C17H13ClN2O2S/c18-13-6-8-14(9-7-13)20-16(23)15(10-19)17(21)22-11-12-4-2-1-3-5-12/h1-9,20,23H,11H2