methyl 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCCC1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C17H23N3O3S/c1-23-16(21)15(8-10-24-2)20-17(22)18-9-7-12-11-19-14-6-4-3-5-13(12)14/h3-6,11,15,19H,7-10H2,1-2H3,(H2,18,20,22)