methyl 3-ethanoylsulfanyl-2-[4-methoxy-1-(phenylmethyl)indol-3-yl]propanoate

Systemtic Name: methyl 3-ethanoylsulfanyl-2-[4-methoxy-1-(phenylmethyl)indol-3-yl]propanoate Openeye Name: methyl 3-acetylsulfanyl-2-(1-benzyl-4-methoxy-indol-3-yl)propanoate CAS Name: 3-(acetylthio)-2-[4-methoxy-1-(phenylmethyl)-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-acetylsulfanyl-2-(1-benzyl-4-methoxyindol-3-yl)propanoate Traditional Name: 3-(acetylthio)-2-(1-benzyl-4-methoxy-indol-3-yl)propionic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1=CN(C2=C1C(=CC=C2)OC)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1=CN(C2=C1C(=CC=C2)OC)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H23NO4S/c1-15(24)28-14-18(22(25)27-3)17-13-23(12-16-8-5-4-6-9-16)19-10-7-11-20(26-2)21(17)19/h4-11,13,18H,12,14H2,1-3H3