ethyl 3-ethyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(4-isopropoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-isopropoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-5-24-18-12-9-16(21(26)27-6-2)13-19(18)29-22(24)23-20(25)15-7-10-17(11-8-15)28-14(3)4/h7-14H,5-6H2,1-4H3