[2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate

Systemtic Name: [2-[[(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] 3-bromanyl-1H-indole-2-carboxylate Openeye Name: [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] 3-bromo-1H-indole-2-carboxylate CAS Name: 3-bromo-1H-indole-2-carboxylic acid [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate Traditional Name: 3-bromo-1H-indole-2-carboxylic acid [2-[[(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C22H16BrFN2O3S MolecularWeight: 487.341443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)OCC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)Br

InChI

InChI=1S/C22H16BrFN2O3S/c23-19-15-4-1-2-5-16(15)25-21(19)22(28)29-12-18(27)26-20(17-6-3-11-30-17)13-7-9-14(24)10-8-13/h1-11,20,25H,12H2,(H,26,27)