ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate CAS Name: 4-[(ethoxycarbonylamino)-oxomethyl]-3-methyl-5-[[1-oxo-4-(phenylthio)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-(carbethoxycarbamoyl)-3-methyl-5-[4-(phenylthio)butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=CC=C2)C(=O)NC(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCSC2=CC=CC=C2)C(=O)NC(=O)OCC)C

InChI

InChI=1S/C22H26N2O6S2/c1-4-29-21(27)18-14(3)17(19(26)24-22(28)30-5-2)20(32-18)23-16(25)12-9-13-31-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-13H2,1-3H3,(H,23,25)(H,24,26,28)