3-ethanoylsulfanyl-2-methyl-propanoate; [2-[(4-methoxyphenyl)methylamino]-3-phenyl-propyl]oxidanium

Systemtic Name: 3-ethanoylsulfanyl-2-methyl-propanoate; [2-[(4-methoxyphenyl)methylamino]-3-phenyl-propyl]oxidanium Openeye Name: 3-acetylsulfanyl-2-methyl-propanoate; [2-[(4-methoxyphenyl)methylamino]-3-phenyl-propyl]oxonium CAS Name: 3-(acetylthio)-2-methylpropanoate; [2-[(4-methoxyphenyl)methylamino]-3-phenylpropyl]oxonium IUPAC Name: 3-acetylsulfanyl-2-methylpropanoate; [2-[(4-methoxyphenyl)methylamino]-3-phenylpropyl]oxidanium Traditional Name: 3-(acetylthio)-2-methyl-propionate; [2-(p-anisylamino)-3-phenyl-propyl]oxonium Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)[O-].COC1=CC=C(C=C1)CNC(CC2=CC=CC=C2)C[OH2+]

Isomeric SMILES

CC(CSC(=O)C)C(=O)[O-].COC1=CC=C(C=C1)CNC(CC2=CC=CC=C2)C[OH2+]

InChI

InChI=1S/C17H21NO2.C6H10O3S/c1-20-17-9-7-15(8-10-17)12-18-16(13-19)11-14-5-3-2-4-6-14;1-4(6(8)9)3-10-5(2)7/h2-10,16,18-19H,11-13H2,1H3;4H,3H2,1-2H3,(H,8,9)