[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=NC4=CC=CC=C4N=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CSC3=NC4=CC=CC=C4N=C3)OC

InChI

InChI=1S/C22H19N3O4S2/c1-27-18-8-7-14(9-19(18)28-2)22-24-15(12-31-22)11-29-21(26)13-30-20-10-23-16-5-3-4-6-17(16)25-20/h3-10,12H,11,13H2,1-2H3