methyl 3-(cyclohexylcarbonylamino)-5-[[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(cyclohexylcarbonylamino)-5-[[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(cyclohexanecarbonylamino)-5-[[(2-methylsulfanylthiazole-4-carbonyl)amino]methyl]benzoate CAS Name: 3-[[cyclohexyl(oxo)methyl]amino]-5-[[[[2-(methylthio)-4-thiazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(cyclohexanecarbonylamino)-5-[[(2-methylsulfanyl-1,3-thiazole-4-carbonyl)amino]methyl]benzoate Traditional Name: 3-(cyclohexanecarbonylamino)-5-[[[2-(methylthio)thiazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCCC2)CNC(=O)C3=CSC(=N3)SC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCCCC2)CNC(=O)C3=CSC(=N3)SC

InChI

InChI=1S/C21H25N3O4S2/c1-28-20(27)15-8-13(11-22-19(26)17-12-30-21(24-17)29-2)9-16(10-15)23-18(25)14-6-4-3-5-7-14/h8-10,12,14H,3-7,11H2,1-2H3,(H,22,26)(H,23,25)