4-oxidanylidene-4-[[3-oxidanyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[3-oxidanyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]butanoate Openeye Name: 4-[3-hydroxy-4-(thiophene-2-carbonylamino)anilino]-4-oxo-butanoate CAS Name: 4-[3-hydroxy-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutanoate IUPAC Name: 4-[3-hydroxy-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoate Traditional Name: 4-[3-hydroxy-4-(2-thenoylamino)anilino]-4-keto-butyrate Formula: C15H13N2O5S- MolecularWeight: 333.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C15H14N2O5S/c18-11-8-9(16-13(19)5-6-14(20)21)3-4-10(11)17-15(22)12-2-1-7-23-12/h1-4,7-8,18H,5-6H2,(H,16,19)(H,17,22)(H,20,21)/p-1