methyl 4-[[2-[2-(2-phenoxyethylsulfanyl)ethanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[2-(2-phenoxyethylsulfanyl)ethanoylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[[2-(2-phenoxyethylsulfanyl)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[1-oxo-2-(2-phenoxyethylthio)ethyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(2-phenoxyethylsulfanyl)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[[2-(2-phenoxyethylthio)acetyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CSCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(CSC1)NC2=CC=CC=C2NC(=O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S2/c1-27-22(26)17-13-30-14-20(17)23-18-9-5-6-10-19(18)24-21(25)15-29-12-11-28-16-7-3-2-4-8-16/h2-10,23H,11-15H2,1H3,(H,24,25)