S-(4-nitrophenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate

Systemtic Name: S-(4-nitrophenyl) 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanethioate Openeye Name: S-(4-nitrophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethanethioate CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]ethanethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]ethanethioate Traditional Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]ethanethioic acid S-(4-nitrophenyl) ester Formula: C25H19ClN2O5S MolecularWeight: 494.94676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H19ClN2O5S/c1-15-21(14-24(29)34-20-10-7-18(8-11-20)28(31)32)22-13-19(33-2)9-12-23(22)27(15)25(30)16-3-5-17(26)6-4-16/h3-13H,14H2,1-2H3