[2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-1-phenylsulfanyl-ethyl] ethanoate

Systemtic Name: [2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-1-phenylsulfanyl-ethyl] ethanoate Openeye Name: [2-[(3-methoxy-4-pentoxy-phenyl)methylamino]-1-phenylsulfanyl-ethyl] acetate CAS Name: acetic acid [2-[(3-methoxy-4-pentoxyphenyl)methylamino]-1-(phenylthio)ethyl] ester IUPAC Name: [2-[(3-methoxy-4-pentoxyphenyl)methylamino]-1-phenylsulfanylethyl] acetate Traditional Name: acetic acid [2-[(4-amoxy-3-methoxy-benzyl)amino]-1-(phenylthio)ethyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNCC(OC(=O)C)SC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNCC(OC(=O)C)SC2=CC=CC=C2)OC

InChI

InChI=1S/C23H31NO4S/c1-4-5-9-14-27-21-13-12-19(15-22(21)26-3)16-24-17-23(28-18(2)25)29-20-10-7-6-8-11-20/h6-8,10-13,15,23-24H,4-5,9,14,16-17H2,1-3H3