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

Systemtic Name: ethyl 4-(methoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-(methoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-[(methoxycarbonylamino)-oxomethyl]-5-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(methoxycarbonylcarbamoyl)-5-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-(carbomethoxycarbamoyl)-5-[4-[(4-methoxyphenyl)thio]butanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7S2/c1-5-31-21(27)18-13(2)17(19(26)24-22(28)30-4)20(33-18)23-16(25)7-6-12-32-15-10-8-14(29-3)9-11-15/h8-11H,5-7,12H2,1-4H3,(H,23,25)(H,24,26,28)