ethyl 2-(1,5-dimethylpyrazol-3-yl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1,5-dimethylpyrazol-3-yl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,5-dimethylpyrazole-3-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,5-dimethylpyrazole-3-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,5-dimethylpyrazole-3-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C)S2)C

InChI

InChI=1S/C17H18N4O3S/c1-5-24-16(23)11-6-7-13-14(9-11)25-17(20(13)3)18-15(22)12-8-10(2)21(4)19-12/h6-9H,5H2,1-4H3