tert-butyl 4-[4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophen-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophen-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-cyano-5-(2-ethylbutanoylamino)-3-methyl-2-thienyl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-2-thiophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophen-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-5-(2-ethylbutanoylamino)-3-methyl-2-thienyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C(=O)OC(C)(C)C)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C(=O)OC(C)(C)C)C)C#N

InChI

InChI=1S/C21H32N4O3S/c1-7-15(8-2)17(26)23-18-16(13-22)14(3)19(29-18)24-9-11-25(12-10-24)20(27)28-21(4,5)6/h15H,7-12H2,1-6H3,(H,23,26)