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

Systemtic Name: ethyl (E)-2-cyano-3-[(phenylmethyl)amino]-3-sulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-(benzylamino)-2-cyano-3-sulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-mercapto-3-[(phenylmethyl)amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(benzylamino)-2-cyano-3-sulfanylprop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-cyano-3-mercapto-acrylic acid ethyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCC1=CC=CC=C1)S)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NCC1=CC=CC=C1)/S)/C#N

InChI

InChI=1S/C13H14N2O2S/c1-2-17-13(16)11(8-14)12(18)15-9-10-6-4-3-5-7-10/h3-7,15,18H,2,9H2,1H3/b12-11+