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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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