ethyl 5-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H32N4O3S2 MolecularWeight: 524.69798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C27H32N4O3S2/c1-7-21(23(32)31-25-19(14-29)15(3)22(36-25)26(33)34-8-2)35-24-17(13-28)11-16-12-18(27(4,5)6)9-10-20(16)30-24/h11,18,21H,7-10,12H2,1-6H3,(H,31,32)