(5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-(2-methoxyphenyl)imino-cyclohexan-1-one

Systemtic Name: (5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-(2-methoxyphenyl)imino-cyclohexan-1-one Openeye Name: (5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-(2-methoxyphenyl)imino-cyclohexanone CAS Name: (5S)-5-[(2S)-2-(ethylthio)propyl]-3-(2-methoxyphenyl)imino-2-(1-oxobutyl)-1-cyclohexanone IUPAC Name: (5S)-2-butanoyl-5-[(2S)-2-ethylsulfanylpropyl]-3-(2-methoxyphenyl)iminocyclohexan-1-one Traditional Name: (5S)-2-butyryl-5-[(2S)-2-(ethylthio)propyl]-3-(2-methoxyphenyl)imino-cyclohexanone Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=NC2=CC=CC=C2OC)CC(CC1=O)CC(C)SCC

Isomeric SMILES

CCCC(=O)C1C(=NC2=CC=CC=C2OC)C[C@@H](CC1=O)C[C@H](C)SCC

InChI

InChI=1S/C22H31NO3S/c1-5-9-19(24)22-18(23-17-10-7-8-11-21(17)26-4)13-16(14-20(22)25)12-15(3)27-6-2/h7-8,10-11,15-16,22H,5-6,9,12-14H2,1-4H3/t15-,16-,22?/m0/s1