tert-butyl 2-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)indol-4-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-ethyl-indol-4-yl]sulfanylacetate CAS Name: 2-[[3-(2-chloro-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-4-indolyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-ethylindol-4-yl]sulfanylacetate Traditional Name: 2-[[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-ethyl-indol-4-yl]thio]acetic acid tert-butyl 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=C2SCC(=O)OC(C)(C)C)C(=O)C(=O)Cl

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2SCC(=O)OC(C)(C)C)C(=O)C(=O)Cl

InChI

InChI=1S/C25H26ClNO4S/c1-5-17-22(23(29)24(26)30)21-18(27(17)14-16-10-7-6-8-11-16)12-9-13-19(21)32-15-20(28)31-25(2,3)4/h6-13H,5,14-15H2,1-4H3