methyl 3-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 3-[(4-methylsulfanyl-2-ureido-butanoyl)amino]thiophene-2-carboxylate CAS Name: 3-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(methylthio)-2-ureido-butanoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C(CCSC)NC(=O)N

InChI

InChI=1S/C12H17N3O4S2/c1-19-11(17)9-7(4-6-21-9)14-10(16)8(3-5-20-2)15-12(13)18/h4,6,8H,3,5H2,1-2H3,(H,14,16)(H3,13,15,18)