3-phenylpropanoyl 2-(ethanoylsulfanylmethylamino)-3-(4-naphthalen-1-ylphenyl)propanoate

Systemtic Name: 3-phenylpropanoyl 2-(ethanoylsulfanylmethylamino)-3-(4-naphthalen-1-ylphenyl)propanoate Openeye Name: 3-phenylpropanoyl 2-(acetylsulfanylmethylamino)-3-[4-(1-naphthyl)phenyl]propanoate CAS Name: 2-[(acetylthio)methylamino]-3-[4-(1-naphthalenyl)phenyl]propanoic acid (1-oxo-3-phenylpropyl) ester IUPAC Name: 3-phenylpropanoyl 2-(acetylsulfanylmethylamino)-3-(4-naphthalen-1-ylphenyl)propanoate Traditional Name: 2-[(acetylthio)methylamino]-3-[4-(1-naphthyl)phenyl]propionic acid hydrocinnamoyl ester Formula: C31H29NO4S MolecularWeight: 511.63126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCNC(CC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)C(=O)OC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)SCNC(CC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32)C(=O)OC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C31H29NO4S/c1-22(33)37-21-32-29(31(35)36-30(34)19-16-23-8-3-2-4-9-23)20-24-14-17-26(18-15-24)28-13-7-11-25-10-5-6-12-27(25)28/h2-15,17-18,29,32H,16,19-21H2,1H3