(E)-4-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-cyano-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-cyano-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-cyano-5-methyl-4-phenyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC(=O)O)C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)/C=C/C(=O)O)C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H12N2O3S/c1-10-15(11-5-3-2-4-6-11)12(9-17)16(22-10)18-13(19)7-8-14(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/b8-7+