methyl 1-[3-(phenylmethylsulfanyl)propanoyl]indole-3-carboxylate

Systemtic Name: methyl 1-[3-(phenylmethylsulfanyl)propanoyl]indole-3-carboxylate Openeye Name: methyl 1-(3-benzylsulfanylpropanoyl)indole-3-carboxylate CAS Name: 1-[1-oxo-3-(phenylmethylthio)propyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-benzylsulfanylpropanoyl)indole-3-carboxylate Traditional Name: 1-[3-(benzylthio)propanoyl]indole-3-carboxylic acid methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)C(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)C(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO3S/c1-24-20(23)17-13-21(18-10-6-5-9-16(17)18)19(22)11-12-25-14-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3