[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C20H22N2O3S2/c23-19(21-9-11-26-14-16-4-3-10-27-16)13-25-20(24)8-7-15-12-22-18-6-2-1-5-17(15)18/h1-6,10,12,22H,7-9,11,13-14H2,(H,21,23)