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

Systemtic Name: 2-[[2-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(1-carboxy-2-methyl-propyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(1-hydroxy-3-methyl-1-oxobutan-2-yl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(1-carboxy-2-methyl-propyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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