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

Systemtic Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-yl-phenyl] 2-methyl-2-nitrososulfanyl-propanoate Openeye Name: [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] 2-methyl-2-nitrososulfanyl-propanoate CAS Name: 2-methyl-2-(nitrosothio)propanoic acid [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)-2-methyl-5-propan-2-ylphenyl] 2-methyl-2-nitrososulfanylpropanoate Traditional Name: 2-methyl-2-(nitrosothio)propionic acid [4-(2-dimethylaminoethyloxy)-5-isopropyl-2-methyl-phenyl] ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S/c1-12(2)14-11-15(24-17(21)18(4,5)25-19-22)13(3)10-16(14)23-9-8-20(6)7/h10-12H,8-9H2,1-7H3