methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3C)C)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3C)C)S2)CC(=O)OC

InChI

InChI=1S/C17H18N4O3S/c1-10-5-6-12-13(7-10)25-17(21(12)9-14(22)24-4)18-16(23)15-11(2)8-20(3)19-15/h5-8H,9H2,1-4H3