ethyl 2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1-isopropylpyrazole-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-propan-2-ylpyrazole-3-carbonyl)imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-isopropylpyrazole-3-carbonyl)imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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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)S2)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-5-10-23-16-8-7-14(19(26)27-6-2)12-17(16)28-20(23)21-18(25)15-9-11-24(22-15)13(3)4/h1,7-9,11-13H,6,10H2,2-4H3