[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H21N3O4S/c22-19(25)13-29-18-8-4-3-7-17(18)24-20(26)12-28-21(27)10-9-14-11-23-16-6-2-1-5-15(14)16/h1-8,11,23H,9-10,12-13H2,(H2,22,25)(H,24,26)