methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC)C

InChI

InChI=1S/C16H16N4O3S/c1-10-8-19(2)18-14(10)15(22)17-16-20(9-13(21)23-3)11-6-4-5-7-12(11)24-16/h4-8H,9H2,1-3H3