methyl 3-(2-methoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-(3-phenylpropanoylimino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-hydrocinnamoylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-26-13-12-23-17-10-9-16(20(25)27-2)14-18(17)28-21(23)22-19(24)11-8-15-6-4-3-5-7-15/h3-7,9-10,14H,8,11-13H2,1-2H3