[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-(furan-2-carbonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-3-methyl-2-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)-3-methyl-thiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H22N2O5S/c1-13-11-15(20-18(23)14-7-6-10-25-14)27-17(13)19(24)26-12-16(22)21-8-4-2-3-5-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,20,23)