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

Systemtic Name: methyl 2-[4-methoxy-1-(phenylmethyl)indol-3-yl]-3-sulfanyl-propanoate Openeye Name: methyl 2-(1-benzyl-4-methoxy-indol-3-yl)-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-[4-methoxy-1-(phenylmethyl)-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(1-benzyl-4-methoxyindol-3-yl)-3-sulfanylpropanoate Traditional Name: 2-(1-benzyl-4-methoxy-indol-3-yl)-3-mercapto-propionic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(CS)C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(CS)C(=O)OC

InChI

InChI=1S/C20H21NO3S/c1-23-18-10-6-9-17-19(18)15(16(13-25)20(22)24-2)12-21(17)11-14-7-4-3-5-8-14/h3-10,12,16,25H,11,13H2,1-2H3