[2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[(4-methyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[(4-methylpyrimidin-2-yl)amino]ethyl] ester Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC1=NC(=NC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C15H12N4O3S/c1-9-4-5-16-15(18-9)19-13(20)7-22-14(21)10-2-3-11-12(6-10)23-8-17-11/h2-6,8H,7H2,1H3,(H,16,18,19,20)