methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-hydrocinnamoylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5S/c1-3-29-20(26)14-24-17-11-10-16(21(27)28-2)13-18(17)30-22(24)23-19(25)12-9-15-7-5-4-6-8-15/h4-8,10-11,13H,3,9,12,14H2,1-2H3