ethyl 3-[[2-[(4-methylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[2-[(4-methylcyclohexyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: ethyl 3-[[2-[(4-methylcyclohexanecarbonyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 3-[[2-[[(4-methylcyclohexyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-methylcyclohexanecarbonyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[2-[(4-methylcyclohexanecarbonyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid ethyl ester Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CCSC)NC(=O)C2CCC(CC2)C

InChI

InChI=1S/C22H32N2O4S/c1-4-28-22(27)17-6-5-7-18(14-17)23-21(26)19(12-13-29-3)24-20(25)16-10-8-15(2)9-11-16/h5-7,14-16,19H,4,8-13H2,1-3H3,(H,23,26)(H,24,25)