ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-4-[(methoxycarbonylamino)-oxomethyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-chlorophenyl)sulfanylbutanoylamino]-4-(methoxycarbonylcarbamoyl)-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbomethoxycarbamoyl)-5-[4-[(4-chlorophenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H23ClN2O6S2 MolecularWeight: 499.00012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S2/c1-4-30-20(27)17-12(2)16(18(26)24-21(28)29-3)19(32-17)23-15(25)6-5-11-31-14-9-7-13(22)8-10-14/h7-10H,4-6,11H2,1-3H3,(H,23,25)(H,24,26,28)