ethyl (E)-3-[(3-aminocarbonyl-5-phenyl-thiophen-2-yl)amino]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[(3-aminocarbonyl-5-phenyl-thiophen-2-yl)amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[(3-carbamoyl-5-phenyl-2-thienyl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[(3-carbamoyl-5-phenyl-2-thiophenyl)amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3-carbamoyl-5-phenylthiophen-2-yl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[(3-carbamoyl-5-phenyl-2-thienyl)amino]-2-cyano-acrylic acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C=C(S1)C2=CC=CC=C2)C(=O)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C=C(S1)C2=CC=CC=C2)C(=O)N)/C#N

InChI

InChI=1S/C17H15N3O3S/c1-2-23-17(22)12(9-18)10-20-16-13(15(19)21)8-14(24-16)11-6-4-3-5-7-11/h3-8,10,20H,2H2,1H3,(H2,19,21)/b12-10+