ethyl 2-(2,6-dimethoxyphenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2,6-dimethoxyphenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,6-dimethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,6-dimethoxyphenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,6-dimethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,6-dimethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-5-23-14-11-10-13(20(25)28-6-2)12-17(14)29-21(23)22-19(24)18-15(26-3)8-7-9-16(18)27-4/h7-12H,5-6H2,1-4H3