methyl 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoate Openeye Name: methyl 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoate CAS Name: 3-[3-(1H-indol-5-yl)-4-[2-(phenylthio)ethoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1H-indol-5-yl)-4-(2-phenylsulfanylethoxy)phenyl]propanoate Traditional Name: 3-[3-(1H-indol-5-yl)-4-[2-(phenylthio)ethoxy]phenyl]propionic acid methyl ester Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCCSC2=CC=CC=C2)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCCSC2=CC=CC=C2)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C26H25NO3S/c1-29-26(28)12-8-19-7-11-25(30-15-16-31-22-5-3-2-4-6-22)23(17-19)20-9-10-24-21(18-20)13-14-27-24/h2-7,9-11,13-14,17-18,27H,8,12,15-16H2,1H3