ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-ethyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-chloro-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-ethylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-ethyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)OCC)C(=O)C(=O)Cl

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)OCC)C(=O)C(=O)Cl

InChI

InChI=1S/C25H26ClNO4S/c1-3-20-23(24(29)25(26)30)19-15-18(32-14-8-11-22(28)31-4-2)12-13-21(19)27(20)16-17-9-6-5-7-10-17/h5-7,9-10,12-13,15H,3-4,8,11,14,16H2,1-2H3