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

Systemtic Name: ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate CAS Name: 4-[(methoxycarbonylamino)-oxomethyl]-3-methyl-5-[[1-oxo-4-(phenylthio)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylate Traditional Name: 4-(carbomethoxycarbamoyl)-3-methyl-5-[4-(phenylthio)butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-4-29-20(26)17-13(2)16(18(25)23-21(27)28-3)19(31-17)22-15(24)11-8-12-30-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-12H2,1-3H3,(H,22,24)(H,23,25,27)