ethyl 4-[[[4-(4-methylsulfanylphenyl)thiophen-2-yl]carbonylamino]methyl]benzoate

Systemtic Name: ethyl 4-[[[4-(4-methylsulfanylphenyl)thiophen-2-yl]carbonylamino]methyl]benzoate Openeye Name: ethyl 4-[[[4-(4-methylsulfanylphenyl)thiophene-2-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[4-[4-(methylthio)phenyl]-2-thiophenyl]-oxomethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[4-(4-methylsulfanylphenyl)thiophene-2-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[4-[4-(methylthio)phenyl]thiophene-2-carbonyl]amino]methyl]benzoic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H21NO3S2/c1-3-26-22(25)17-6-4-15(5-7-17)13-23-21(24)20-12-18(14-28-20)16-8-10-19(27-2)11-9-16/h4-12,14H,3,13H2,1-2H3,(H,23,24)