ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-6-methyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-ethyl-6-methyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-6-methylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-6-methyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3S/c1-4-22-21(16-25(27)29)20-15-24(32-13-9-12-26(30)31-5-2)18(3)14-23(20)28(22)17-19-10-7-6-8-11-19/h6-8,10-11,14-15H,4-5,9,12-13,16-17H2,1-3H3,(H2,27,29)