methyl 4-[3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-(phenylthio)-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-phenylsulfanyl-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[2-keto-3-[2-(o-toluidino)-1,3-benzoxazol-6-yl]-1-(phenylthio)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C35H39N3O5S MolecularWeight: 613.76626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)OC)SC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)OC)SC6=CC=CC=C6

InChI

InChI=1S/C35H39N3O5S/c1-24-10-6-7-13-29(24)36-34-37-30-19-14-25(22-31(30)42-34)23-32(39)35(38-20-8-9-21-38,44-28-11-4-3-5-12-28)43-27-17-15-26(16-18-27)33(40)41-2/h3-7,10-14,19,22,26-27H,8-9,15-18,20-21,23H2,1-2H3,(H,36,37)