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

Systemtic Name: ethyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methylsulfanyl-1-(phenylmethyl)indol-5-yl]oxybutanoate Openeye Name: ethyl 4-[3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methylsulfanyl-indol-5-yl]oxybutanoate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-(methylthio)-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylsulfanylindol-5-yl]oxybutanoate Traditional Name: 4-[3-(2-amino-2-keto-ethyl)-1-benzyl-2-(methylthio)indol-5-yl]oxybutyric acid ethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)N)SC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCOC1=CC2=C(C=C1)N(C(=C2CC(=O)N)SC)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4S/c1-3-29-23(28)10-7-13-30-18-11-12-21-19(14-18)20(15-22(25)27)24(31-2)26(21)16-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13,15-16H2,1-2H3,(H2,25,27)