ethyl 2-(1-methylpyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1-methylpyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-methylpyrazole-3-carbonyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-4-9-22-14-7-6-12(17(24)25-5-2)11-15(14)26-18(22)19-16(23)13-8-10-21(3)20-13/h4,6-8,10-11H,1,5,9H2,2-3H3