ethyl 4-cyano-3-methyl-5-[2-[methyl(methylsulfonyl)amino]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-[methyl(methylsulfonyl)amino]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[methyl(methylsulfonyl)amino]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-[mesyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C13H17N3O5S2 MolecularWeight: 359.42118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN(C)S(=O)(=O)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN(C)S(=O)(=O)C)C#N)C

InChI

InChI=1S/C13H17N3O5S2/c1-5-21-13(18)11-8(2)9(6-14)12(22-11)15-10(17)7-16(3)23(4,19)20/h5,7H2,1-4H3,(H,15,17)