[4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 3-methyl-3-nitrososulfanyl-butanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 3-methyl-3-nitrososulfanyl-butanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 3-methyl-3-nitrososulfanyl-butanoate CAS Name: 3-methyl-3-(nitrosothio)butanoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 3-methyl-3-nitrososulfanylbutanoate Traditional Name: 3-methyl-3-(nitrosothio)butyric acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)CC(C)(C)SN=O)C(C)C)OCCN(C)C

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)CC(C)(C)SN=O)C(C)C)OCCN(C)C

InChI

InChI=1S/C19H30N2O4S/c1-13(2)15-11-16(25-18(22)12-19(4,5)26-20-23)14(3)10-17(15)24-9-8-21(6)7/h10-11,13H,8-9,12H2,1-7H3