[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate hydrochloride

Systemtic Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate hydrochloride Openeye Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] pyridine-4-carboxylate hydrochloride CAS Name: 4-pyridinecarboxylic acid [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester hydrochloride IUPAC Name: [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate hydrochloride Traditional Name: isonicotinic acid [2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl] ester hydrochloride Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=NC=C3.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C3=CC=NC=C3.Cl

InChI

InChI=1S/C16H13N3O3S.ClH/c1-10-2-3-12-13(8-10)23-16(18-12)19-14(20)9-22-15(21)11-4-6-17-7-5-11;/h2-8H,9H2,1H3,(H,18,19,20);1H