4-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(2-oxo-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid CAS Name: 4-[[1-oxo-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]amino]benzoic acid IUPAC Name: 4-[3-(2-oxo-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(2-keto-1,3-benzothiazol-3-yl)propanoylamino]benzoic acid Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O4S/c20-15(18-12-7-5-11(6-8-12)16(21)22)9-10-19-13-3-1-2-4-14(13)24-17(19)23/h1-8H,9-10H2,(H,18,20)(H,21,22)