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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23ClN4O4S MolecularWeight: 426.91762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)N)C)C(=O)OCC)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C18H23ClN4O4S/c1-6-11(23-10(5)13(19)9(4)22-23)16(25)21-17-12(18(26)27-7-2)8(3)14(28-17)15(20)24/h11H,6-7H2,1-5H3,(H2,20,24)(H,21,25)