ethyl 5-ethanoyl-4-methyl-2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H26N2O4S2/c1-6-27-21(26)18-13(2)19(14(3)24)29-20(18)22-17(25)12-23(4)11-15-7-9-16(28-5)10-8-15/h7-10H,6,11-12H2,1-5H3,(H,22,25)