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

Systemtic Name: ethyl 2-cyano-3-[(phenylmethyl)amino]-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: ethyl 3-(benzylamino)-3-benzylsulfanyl-2-cyano-prop-2-enoate CAS Name: 2-cyano-3-[(phenylmethyl)amino]-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-3-benzylsulfanyl-2-cyanoprop-2-enoate Traditional Name: 3-(benzylamino)-3-(benzylthio)-2-cyano-acrylic acid ethyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCC1=CC=CC=C1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(=C(NCC1=CC=CC=C1)SCC2=CC=CC=C2)C#N

InChI

InChI=1S/C20H20N2O2S/c1-2-24-20(23)18(13-21)19(22-14-16-9-5-3-6-10-16)25-15-17-11-7-4-8-12-17/h3-12,22H,2,14-15H2,1H3