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

Systemtic Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxidanylidene-pentanoate Openeye Name: (3-isopropylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxo-pentanoate CAS Name: 4-(2-dimethylaminoethyloxy)-2-methyl-5-[[1-(nitrosothio)cyclohexyl]methylamino]-5-oxopentanoic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(2-dimethylaminoethyloxy)-2-methyl-5-[(1-nitrososulfanylcyclohexyl)methylamino]-5-oxopentanoate Traditional Name: 4-(2-dimethylaminoethyloxy)-5-keto-2-methyl-5-[[1-(nitrosothio)cyclohexyl]methylamino]valeric acid m-cumenyl ester Formula: C26H41N3O5S MolecularWeight: 507.68584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C(C)CC(C(=O)NCC2(CCCCC2)SN=O)OCCN(C)C

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C(C)CC(C(=O)NCC2(CCCCC2)SN=O)OCCN(C)C

InChI

InChI=1S/C26H41N3O5S/c1-19(2)21-10-9-11-22(17-21)34-25(31)20(3)16-23(33-15-14-29(4)5)24(30)27-18-26(35-28-32)12-7-6-8-13-26/h9-11,17,19-20,23H,6-8,12-16,18H2,1-5H3,(H,27,30)