ethyl 5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CCSCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CCSCC(=O)N)C

InChI

InChI=1S/C13H18N2O4S2/c1-3-19-13(18)12-8(2)6-11(21-12)15-10(17)4-5-20-7-9(14)16/h6H,3-5,7H2,1-2H3,(H2,14,16)(H,15,17)