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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-hydrocinnamoylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-3-28-15-14-25-19-12-11-18(22(27)29-4-2)16-20(19)30-23(25)24-21(26)13-10-17-8-6-5-7-9-17/h5-9,11-12,16H,3-4,10,13-15H2,1-2H3