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

Systemtic Name: methyl 4-cyano-3-methyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CN2CCCN(CC2)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CN2CCCN(CC2)C)C(=O)OC

InChI

InChI=1S/C16H22N4O3S/c1-11-12(9-17)15(24-14(11)16(22)23-3)18-13(21)10-20-6-4-5-19(2)7-8-20/h4-8,10H2,1-3H3,(H,18,21)