[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C20H27NO4S/c1-14-8-10-18(26-14)17(22)9-11-19(23)25-15(2)20(24)21-13-12-16-6-4-3-5-7-16/h6,8,10,15H,3-5,7,9,11-13H2,1-2H3,(H,21,24)/t15-/m0/s1