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

Systemtic Name: ethyl 3-ethyl-2-(4-methoxycarbonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(4-methoxycarbonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(4-methoxycarbonylphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(4-methoxycarbonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-carbomethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-4-23-16-11-10-15(20(26)28-5-2)12-17(16)29-21(23)22-18(24)13-6-8-14(9-7-13)19(25)27-3/h6-12H,4-5H2,1-3H3