2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid CAS Name: 2-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Traditional Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H12N2O3S2/c1-22-16-18-12-7-6-9(8-13(12)23-16)17-14(19)10-4-2-3-5-11(10)15(20)21/h2-8H,1H3,(H,17,19)(H,20,21)