methyl 1-[2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[2-(2-methylsulfanylanilino)-2-oxo-ethoxy]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[2-[2-(methylthio)anilino]-2-oxoethoxy]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-(2-methylsulfanylanilino)-2-oxoethoxy]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[2-keto-2-[2-(methylthio)anilino]ethoxy]ethyl]indole-3-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H20N2O5S/c1-27-21(26)15-11-23(17-9-5-3-7-14(15)17)12-20(25)28-13-19(24)22-16-8-4-6-10-18(16)29-2/h3-11H,12-13H2,1-2H3,(H,22,24)