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

Systemtic Name: methyl 2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-allyl-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-propan-2-ylpyrazole-3-carbonyl)imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CC=C

InChI

InChI=1S/C19H20N4O3S/c1-5-9-22-15-7-6-13(18(25)26-4)11-16(15)27-19(22)20-17(24)14-8-10-23(21-14)12(2)3/h5-8,10-12H,1,9H2,2-4H3