(3,4-dimethylcyclohexyl) 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,4-dimethylcyclohexyl) 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (3,4-dimethylcyclohexyl) 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid (3,4-dimethylcyclohexyl) ester IUPAC Name: (3,4-dimethylcyclohexyl) 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyric acid (3,4-dimethylcyclohexyl) ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H28N2O3S/c1-13-7-8-15(11-14(13)2)26-20(25)10-9-19(24)23-21-17(12-22)16-5-3-4-6-18(16)27-21/h13-15H,3-11H2,1-2H3,(H,23,24)