ethyl 2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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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)C(C)C)S2)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-6-10-24-17-9-8-15(20(27)28-7-2)12-18(17)29-21(24)22-19(26)16-11-14(5)25(23-16)13(3)4/h6,8-9,11-13H,1,7,10H2,2-5H3