4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)anilino]-4-keto-butyric acid Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C17H14N2O3S/c20-15(9-10-16(21)22)18-12-7-5-11(6-8-12)17-19-13-3-1-2-4-14(13)23-17/h1-8H,9-10H2,(H,18,20)(H,21,22)