ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-ethyl-6-methyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-chloro-1,2-dioxoethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-ethyl-6-methylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-ethyl-6-methyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C26H28ClNO4S MolecularWeight: 486.02282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C)SCCCC(=O)OCC)C(=O)C(=O)Cl

Isomeric SMILES

CCC1=C(C2=CC(=C(C=C2N1CC3=CC=CC=C3)C)SCCCC(=O)OCC)C(=O)C(=O)Cl

InChI

InChI=1S/C26H28ClNO4S/c1-4-20-24(25(30)26(27)31)19-15-22(33-13-9-12-23(29)32-5-2)17(3)14-21(19)28(20)16-18-10-7-6-8-11-18/h6-8,10-11,14-15H,4-5,9,12-13,16H2,1-3H3