oxolan-2-ylmethyl (E)-2-cyano-3-methylsulfanyl-3-[(phenylmethyl)amino]prop-2-enoate

Systemtic Name: oxolan-2-ylmethyl (E)-2-cyano-3-methylsulfanyl-3-[(phenylmethyl)amino]prop-2-enoate Openeye Name: tetrahydrofuran-2-ylmethyl (E)-3-(benzylamino)-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[(phenylmethyl)amino]-2-propenoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl (E)-3-(benzylamino)-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-(benzylamino)-2-cyano-3-(methylthio)acrylic acid tetrahydrofurfuryl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)OCC1CCCO1)NCC2=CC=CC=C2

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)OCC1CCCO1)/NCC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-23-16(19-11-13-6-3-2-4-7-13)15(10-18)17(20)22-12-14-8-5-9-21-14/h2-4,6-7,14,19H,5,8-9,11-12H2,1H3/b16-15+