methyl (3S)-3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-phenyl-propanoate CAS Name: (3S)-3-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-phenylpropanoate Traditional Name: (3S)-3-[3-[(4-methoxyphenyl)thio]propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N[C@@H](CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C20H23NO4S/c1-24-16-8-10-17(11-9-16)26-13-12-19(22)21-18(14-20(23)25-2)15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3,(H,21,22)/t18-/m0/s1