[2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 3-indol-1-ylpropanoate

Systemtic Name: [2-[ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxidanylidene-ethyl] 3-indol-1-ylpropanoate Openeye Name: [2-[ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]amino]-2-oxo-ethyl] 3-indol-1-ylpropanoate CAS Name: 3-(1-indolyl)propanoic acid [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 3-indol-1-ylpropanoate Traditional Name: 3-indol-1-ylpropionic acid [2-[ethyl-[2-keto-2-(2-thenylamino)ethyl]amino]-2-keto-ethyl] ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)CCN2C=CC3=CC=CC=C32

Isomeric SMILES

CCN(CC(=O)NCC1=CC=CS1)C(=O)COC(=O)CCN2C=CC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O4S/c1-2-24(15-20(26)23-14-18-7-5-13-30-18)21(27)16-29-22(28)10-12-25-11-9-17-6-3-4-8-19(17)25/h3-9,11,13H,2,10,12,14-16H2,1H3,(H,23,26)