methyl 5-aminocarbonyl-2-[2-(azepan-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[2-(azepan-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCCCCC2)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCCCCC2)C(=O)N

InChI

InChI=1S/C16H23N3O4S/c1-10-12(16(22)23-2)15(24-13(10)14(17)21)18-11(20)9-19-7-5-3-4-6-8-19/h3-9H2,1-2H3,(H2,17,21)(H,18,20)