methyl 2-[3-(azepan-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(azepan-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-(azepan-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(1-azepanyl)-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(azepan-1-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(azepan-1-yl)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCCCCC2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2CCCCCC2)C

InChI

InChI=1S/C17H26N2O3S/c1-12-13(2)23-16(15(12)17(21)22-3)18-14(20)8-11-19-9-6-4-5-7-10-19/h4-11H2,1-3H3,(H,18,20)