ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2,7-dimethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2,7-dimethyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-chloro-1,2-dioxoethyl)-2,7-dimethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2,7-dimethylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-benzyl-3-(2-chloro-2-keto-acetyl)-2,7-dimethyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=CC(=C2C(=C1)C(=C(N2CC3=CC=CC=C3)C)C(=O)C(=O)Cl)C

Isomeric SMILES

CCOC(=O)CCCSC1=CC(=C2C(=C1)C(=C(N2CC3=CC=CC=C3)C)C(=O)C(=O)Cl)C

InChI

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