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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC

InChI

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