[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxidanylidene-pentanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxo-pentanoate CAS Name: 5-[[1-(nitrosothio)cyclohexyl]methylamino]-5-oxopentanoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[1-(nitrosothio)cyclohexyl]methylamino]valeric acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C26H41N3O5S MolecularWeight: 507.68584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CCCC(=O)NCC2(CCCCC2)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CCCC(=O)NCC2(CCCCC2)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C26H41N3O5S/c1-19(2)21-17-22(20(3)16-23(21)33-15-14-29(4)5)34-25(31)11-9-10-24(30)27-18-26(35-28-32)12-7-6-8-13-26/h16-17,19H,6-15,18H2,1-5H3,(H,27,30)