ethyl 4-cyano-3-methyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(4-methyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCCN(CC2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCCN(CC2)C)C#N)C

InChI

InChI=1S/C17H24N4O3S/c1-4-24-17(23)15-12(2)13(10-18)16(25-15)19-14(22)11-21-7-5-6-20(3)8-9-21/h4-9,11H2,1-3H3,(H,19,22)