ethyl 2-(2,5-dimethoxyphenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(2,5-dimethoxyphenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(2,5-dimethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,5-dimethoxyphenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,5-dimethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,5-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(=C3)OC)OC

Isomeric SMILES

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

InChI

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