[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3N2)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3N2)Br

InChI

InChI=1S/C20H19BrN2O3S/c21-18-15-9-4-5-10-16(15)23-19(18)20(25)26-13-17(24)22-11-6-12-27-14-7-2-1-3-8-14/h1-5,7-10,23H,6,11-13H2,(H,22,24)