[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H18N2O3S2/c19-14(18-7-3-1-2-4-8-18)10-21-16(20)12-11-23-15(17-12)13-6-5-9-22-13/h5-6,9,11H,1-4,7-8,10H2