methyl 2-(4-ethanoylphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-ethanoylphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-acetylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-acetylphenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-acetylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-acetylbenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C21H20N2O4S2/c1-13(24)14-4-6-15(7-5-14)19(25)22-21-23(10-11-28-3)17-9-8-16(20(26)27-2)12-18(17)29-21/h4-9,12H,10-11H2,1-3H3