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

Systemtic Name: methyl 2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

InChI

InChI=1S/C20H22N4O3S/c1-6-9-23-16-8-7-14(19(26)27-5)11-17(16)28-20(23)21-18(25)15-10-13(4)24(22-15)12(2)3/h6-8,10-12H,1,9H2,2-5H3