[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C=CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)/C=C/C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H16N2O3S/c19-11-4-12-20-17(21)13-23-18(22)10-8-15-7-9-16(24-15)14-5-2-1-3-6-14/h1-3,5-10H,4,12-13H2,(H,20,21)/b10-8+