ethyl 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]propanoate

Systemtic Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-yl-indol-2-yl]propanoate Openeye Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-5-isopropyl-3-phenylsulfanyl-indol-2-yl]propanoate CAS Name: 2-[1-[(4-chlorophenyl)methyl]-3-(phenylthio)-5-propan-2-yl-2-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-[(4-chlorophenyl)methyl]-3-phenylsulfanyl-5-propan-2-ylindol-2-yl]propanoate Traditional Name: 2-[1-(4-chlorobenzyl)-5-isopropyl-3-(phenylthio)indol-2-yl]propionic acid ethyl ester Formula: C29H30ClNO2S MolecularWeight: 492.072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C(C)C)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C)C1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C(C)C)SC4=CC=CC=C4

InChI

InChI=1S/C29H30ClNO2S/c1-5-33-29(32)20(4)27-28(34-24-9-7-6-8-10-24)25-17-22(19(2)3)13-16-26(25)31(27)18-21-11-14-23(30)15-12-21/h6-17,19-20H,5,18H2,1-4H3