[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=C(C=CS2)C(=O)N)Cl

InChI

InChI=1S/C17H21ClN4O4S/c1-4-5-7-22-13(18)12(9(2)21-22)17(25)26-10(3)15(24)20-16-11(14(19)23)6-8-27-16/h6,8,10H,4-5,7H2,1-3H3,(H2,19,23)(H,20,24)/t10-/m1/s1