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

Systemtic Name: ethyl 4-[2,7-dimethyl-3-oxamoyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-(1-benzyl-2,7-dimethyl-3-oxamoyl-indol-5-yl)sulfanylbutanoate CAS Name: 4-[[2,7-dimethyl-3-oxamoyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(1-benzyl-2,7-dimethyl-3-oxamoylindol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-benzyl-2,7-dimethyl-3-oxamoyl-indol-5-yl)thio]butyric acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4S/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,(H2,26,30)