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

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethyl)indol-5-yl]sulfanylbutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-ethyl-indol-5-yl]sulfanylbutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethyl)-5-indolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]sulfanylbutanoate Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-1-benzyl-2-ethyl-indol-5-yl]thio]butyric acid ethyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)OCC)CC(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)SCCCC(=O)OCC)CC(=O)N

InChI

InChI=1S/C25H30N2O3S/c1-3-22-21(16-24(26)28)20-15-19(31-14-8-11-25(29)30-4-2)12-13-23(20)27(22)17-18-9-6-5-7-10-18/h5-7,9-10,12-13,15H,3-4,8,11,14,16-17H2,1-2H3,(H2,26,28)