2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-sulfo-benzoic acid

Systemtic Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-sulfo-benzoic acid Openeye Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-sulfo-benzoic acid CAS Name: 2-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-3-sulfobenzoic acid IUPAC Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-sulfobenzoic acid Traditional Name: 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]-3-sulfo-benzoic acid Formula: C16H12N2O6S2 MolecularWeight: 392.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3S(=O)(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC=C3S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H12N2O6S2/c1-8-4-2-6-10-13(8)17-16(25-10)18-14(19)12-9(15(20)21)5-3-7-11(12)26(22,23)24/h2-7H,1H3,(H,20,21)(H,17,18,19)(H,22,23,24)