4-[[2-methyl-5-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-methyl-5-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[2-methyl-5-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-methyl-5-(2-thenoylamino)anilino]butyric acid Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CS2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H16N2O4S/c1-10-4-5-11(17-16(22)13-3-2-8-23-13)9-12(10)18-14(19)6-7-15(20)21/h2-5,8-9H,6-7H2,1H3,(H,17,22)(H,18,19)(H,20,21)