propyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C21H29ClN4O4S MolecularWeight: 468.99736

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(CC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C(CC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C21H29ClN4O4S/c1-8-10-30-21(29)15-11(3)17(20(28)25(6)7)31-19(15)23-18(27)14(9-2)26-13(5)16(22)12(4)24-26/h14H,8-10H2,1-7H3,(H,23,27)