[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H18N2O5S2/c1-27-14-9-13(10-15(11-14)28-2)23-20(25)12-29-22(26)19-8-7-18(30-19)21-24-16-5-3-4-6-17(16)31-21/h3-11H,12H2,1-2H3,(H,23,25)