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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 2-[2-(3-thienyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-thiophenyl)-4-thiazolyl]acetic 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-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-thienyl)thiazol-4-yl]acetic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CC3=CSC(=N3)C4=CSC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CC3=CSC(=N3)C4=CSC=C4)OC1

InChI

InChI=1S/C20H17NO5S2/c22-16(13-2-3-17-18(8-13)25-6-1-5-24-17)10-26-19(23)9-15-12-28-20(21-15)14-4-7-27-11-14/h2-4,7-8,11-12H,1,5-6,9-10H2