[4-[[1-(ethylamino)-1-(2-methyl-3-sulfanyl-phenoxy)-2-oxidanyl-propyl]carbamoyl]cyclohexyl] nitrate

Systemtic Name: [4-[[1-(ethylamino)-1-(2-methyl-3-sulfanyl-phenoxy)-2-oxidanyl-propyl]carbamoyl]cyclohexyl] nitrate Openeye Name: [4-[[1-(ethylamino)-2-hydroxy-1-(2-methyl-3-sulfanyl-phenoxy)propyl]carbamoyl]cyclohexyl] nitrate CAS Name: nitric acid [4-[[[1-(ethylamino)-2-hydroxy-1-(3-mercapto-2-methylphenoxy)propyl]amino]-oxomethyl]cyclohexyl] ester IUPAC Name: [4-[[1-(ethylamino)-2-hydroxy-1-(2-methyl-3-sulfanylphenoxy)propyl]carbamoyl]cyclohexyl] nitrate Traditional Name: nitric acid [4-[[1-(ethylamino)-2-hydroxy-1-(3-mercapto-2-methyl-phenoxy)propyl]carbamoyl]cyclohexyl] ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C(C)O)(NC(=O)C1CCC(CC1)O[N+](=O)[O-])OC2=C(C(=CC=C2)S)C

Isomeric SMILES

CCNC(C(C)O)(NC(=O)C1CCC(CC1)O[N+](=O)[O-])OC2=C(C(=CC=C2)S)C

InChI

InChI=1S/C19H29N3O6S/c1-4-20-19(13(3)23,27-16-6-5-7-17(29)12(16)2)21-18(24)14-8-10-15(11-9-14)28-22(25)26/h5-7,13-15,20,23,29H,4,8-11H2,1-3H3,(H,21,24)