ethyl 3-methyl-4-(methylcarbamoyl)-5-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate CAS Name: 3-methyl-4-(methylcarbamoyl)-5-[[1-oxo-3-(phenylthio)propyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate Traditional Name: 3-methyl-4-(methylcarbamoyl)-5-[3-(phenylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=CC=C2)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=CC=C2)C(=O)NC)C

InChI

InChI=1S/C19H22N2O4S2/c1-4-25-19(24)16-12(2)15(17(23)20-3)18(27-16)21-14(22)10-11-26-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,20,23)(H,21,22)