(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(3-thienyl)thiazole-4-carboxylate CAS Name: 2-(3-thiophenyl)-4-thiazolecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(3-thienyl)thiazole-4-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H14ClNO4S2 MolecularWeight: 407.89106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO4S2/c19-13-6-11(7-15-16(13)23-4-1-3-22-15)8-24-18(21)14-10-26-17(20-14)12-2-5-25-9-12/h2,5-7,9-10H,1,3-4,8H2