methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(1-methylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(1-methylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=NN(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=NN(C=C3)C

InChI

InChI=1S/C18H18N4O5S/c1-4-27-15(23)10-22-13-6-5-11(17(25)26-3)9-14(13)28-18(22)19-16(24)12-7-8-21(2)20-12/h5-9H,4,10H2,1-3H3