diethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-4-(phenylthio)butyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[4-(phenylthio)butanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S2/c1-4-26-20(24)17-14(3)18(21(25)27-5-2)29-19(17)22-16(23)12-9-13-28-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,22,23)