2-butanoyl-5-(2-ethylsulfanylpropyl)-3-[(2-methoxyphenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-[(2-methoxyphenyl)amino]cyclohex-2-en-1-one Openeye Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(2-methoxyanilino)cyclohex-2-en-1-one CAS Name: 5-[2-(ethylthio)propyl]-3-(2-methoxyanilino)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-5-(2-ethylsulfanylpropyl)-3-(2-methoxyanilino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-5-[2-(ethylthio)propyl]-3-(o-anisidino)cyclohex-2-en-1-one Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)NC2=CC=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=C(CC(CC1=O)CC(C)SCC)NC2=CC=CC=C2OC

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/h7-8,10-11,15-16,23H,5-6,9,12-14H2,1-4H3