[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C19H15NO5S2 MolecularWeight: 401.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CSC(=N3)C4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)C3=CSC(=N3)C4=CC=CS4)OC1

InChI

InChI=1S/C19H15NO5S2/c21-14(12-4-5-15-16(9-12)24-7-2-6-23-15)10-25-19(22)13-11-27-18(20-13)17-3-1-8-26-17/h1,3-5,8-9,11H,2,6-7,10H2