2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]nicotinic acid Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H13N3O4S2/c1-23-9-4-5-11-12(7-9)25-16(18-11)19-13(20)8-24-14-10(15(21)22)3-2-6-17-14/h2-7H,8H2,1H3,(H,21,22)(H,18,19,20)