2-[[2-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(1-carboxybutylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[(1-hydroxy-1-oxopentan-2-yl)thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(1-hydroxy-1-oxopentan-2-yl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(1-carboxybutylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H18N2O5S2/c1-2-5-15(19(26)27)28-20-22-14-9-8-11(10-16(14)29-20)21-17(23)12-6-3-4-7-13(12)18(24)25/h3-4,6-10,15H,2,5H2,1H3,(H,21,23)(H,24,25)(H,26,27)