4-[[3-aminocarbonyl-4-(3,4-dimethylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-aminocarbonyl-4-(3,4-dimethylphenyl)-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)CCC(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)CCC(=O)O)C)C

InChI

InChI=1S/C18H20N2O4S/c1-9-4-5-12(8-10(9)2)15-11(3)25-18(16(15)17(19)24)20-13(21)6-7-14(22)23/h4-5,8H,6-7H2,1-3H3,(H2,19,24)(H,20,21)(H,22,23)