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

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-6-29-20(27)15-7-8-17-18(12-15)30-21(24(17)9-10-28-5)22-19(26)16-11-14(4)25(23-16)13(2)3/h7-8,11-13H,6,9-10H2,1-5H3