3-[6-(2-chlorophenyl)carbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl]propanoic acid

Systemtic Name: 3-[6-(2-chlorophenyl)carbonyl-2-oxidanylidene-1,3-benzothiazol-3-yl]propanoic acid Openeye Name: 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]propanoic acid CAS Name: 3-[6-[(2-chlorophenyl)-oxomethyl]-2-oxo-1,3-benzothiazol-3-yl]propanoic acid IUPAC Name: 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzothiazol-3-yl]propanoic acid Traditional Name: 3-[6-(2-chlorobenzoyl)-2-keto-1,3-benzothiazol-3-yl]propionic acid Formula: C17H12ClNO4S MolecularWeight: 361.79948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCC(=O)O)Cl

InChI

InChI=1S/C17H12ClNO4S/c18-12-4-2-1-3-11(12)16(22)10-5-6-13-14(9-10)24-17(23)19(13)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)