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

Systemtic Name: ethyl 4-[3-(2-chloranyl-2-oxidanylidene-ethanoyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxo-acetyl)-2-ethyl-6-isopropyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-chloro-1,2-dioxoethyl)-2-ethyl-1-(phenylmethyl)-6-propan-2-yl-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-benzyl-3-(2-chloro-2-oxoacetyl)-2-ethyl-6-propan-2-ylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[1-benzyl-3-(2-chloro-2-keto-acetyl)-2-ethyl-6-isopropyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C28H32ClNO4S MolecularWeight: 514.07598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO4S/c1-5-22-26(27(32)28(29)33)21-16-24(35-14-10-13-25(31)34-6-2)20(18(3)4)15-23(21)30(22)17-19-11-8-7-9-12-19/h7-9,11-12,15-16,18H,5-6,10,13-14,17H2,1-4H3