(phenylmethyl) 2-[5-methoxy-2-methylsulfanyl-1-(phenylmethyl)indol-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-methoxy-2-methylsulfanyl-1-(phenylmethyl)indol-3-yl]ethanoate Openeye Name: benzyl 2-(1-benzyl-5-methoxy-2-methylsulfanyl-indol-3-yl)acetate CAS Name: 2-[5-methoxy-2-(methylthio)-1-(phenylmethyl)-3-indolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetate Traditional Name: 2-[1-benzyl-5-methoxy-2-(methylthio)indol-3-yl]acetic acid benzyl ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2CC(=O)OCC3=CC=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2CC(=O)OCC3=CC=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C26H25NO3S/c1-29-21-13-14-24-22(15-21)23(16-25(28)30-18-20-11-7-4-8-12-20)26(31-2)27(24)17-19-9-5-3-6-10-19/h3-15H,16-18H2,1-2H3