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

Systemtic Name: 4-[3-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]-2-oxidanylidene-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-phenylsulfanyl-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-(phenylthio)-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-2-oxo-1-phenylsulfanyl-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[2-keto-3-[2-(o-toluidino)-1,3-benzoxazol-6-yl]-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=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)C(N4CCCC4)(OC5CCC(CC5)C(=O)O)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)O)SC6=CC=CC=C6

InChI

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