ethyl 2-cyclohexylcarbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-cyclohexylcarbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(cyclohexanecarbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[cyclohexyl(oxo)methyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyclohexanecarbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(cyclohexanecarbonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCCCC3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3CCCCC3

InChI

InChI=1S/C21H28N2O4S/c1-3-26-13-12-23-17-11-10-16(20(25)27-4-2)14-18(17)28-21(23)22-19(24)15-8-6-5-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3