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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(2-phenoxyethanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(2-phenoxyacetyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-(1-oxo-2-phenoxyethyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(2-phenoxyacetyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(2-phenoxyacetyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-3-27-13-12-24-18-11-10-16(21(26)28-4-2)14-19(18)30-22(24)23-20(25)15-29-17-8-6-5-7-9-17/h5-11,14H,3-4,12-13,15H2,1-2H3