methyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C11H14N2O4S2 MolecularWeight: 302.36986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4S2/c1-17-11(16)10-7(2-5-19-10)13-9(15)3-4-18-6-8(12)14/h2,5H,3-4,6H2,1H3,(H2,12,14)(H,13,15)