[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-acetamido-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-acetamido-4-thiophen-2-yl-3-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-acetamido-4-(2-thienyl)thiophene-3-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=C(C(=CS1)C2=CC=CS2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H22N2O4S2/c1-13(22)20-18-17(14(12-27-18)15-7-6-10-26-15)19(24)25-11-16(23)21-8-4-2-3-5-9-21/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,20,22)