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

Systemtic Name: 4-[3-(1,3-benzoxazol-6-yl)-3-[(2-methylphenyl)amino]-2-oxidanylidene-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-(phenylthio)-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(1,3-benzoxazol-6-yl)-3-(2-methylanilino)-2-oxo-1-phenylsulfanyl-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(1,3-benzoxazol-6-yl)-2-keto-3-(o-toluidino)-1-(phenylthio)-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C34H37N3O5S MolecularWeight: 599.73968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(C2=CC3=C(C=C2)N=CO3)C(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)SC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1NC(C2=CC3=C(C=C2)N=CO3)C(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)SC6=CC=CC=C6

InChI

InChI=1S/C34H37N3O5S/c1-23-9-5-6-12-28(23)36-31(25-15-18-29-30(21-25)41-22-35-29)32(38)34(37-19-7-8-20-37,43-27-10-3-2-4-11-27)42-26-16-13-24(14-17-26)33(39)40/h2-6,9-12,15,18,21-22,24,26,31,36H,7-8,13-14,16-17,19-20H2,1H3,(H,39,40)