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

Systemtic Name: ethyl 4-[2-ethyl-3-oxamoyl-1-(phenylmethyl)-6-propan-2-yl-indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-(1-benzyl-2-ethyl-6-isopropyl-3-oxamoyl-indol-5-yl)sulfanylbutanoate CAS Name: 4-[[2-ethyl-3-oxamoyl-1-(phenylmethyl)-6-propan-2-yl-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2-ethyl-3-oxamoyl-6-propan-2-ylindol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-benzyl-2-ethyl-6-isopropyl-3-oxamoyl-indol-5-yl)thio]butyric acid ethyl ester Formula: C28H34N2O4S MolecularWeight: 494.64556

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4S/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,(H2,29,33)