ethyl 3-(2-methoxyethyl)-2-(4-methylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methoxyethyl)-2-(4-methylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methoxyethyl)-2-(4-methylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[(4-methylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methoxyethyl)-2-(4-methylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-methoxyethyl)-2-p-toluoylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-27-20(25)16-9-10-17-18(13-16)28-21(23(17)11-12-26-3)22-19(24)15-7-5-14(2)6-8-15/h5-10,13H,4,11-12H2,1-3H3