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

Systemtic Name: ethyl 2-(4-ethylsulfanylphenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-ethylsulfanylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(ethylthio)phenyl]-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethylsulfanylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(ethylthio)benzoyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H24N2O3S3 MolecularWeight: 460.63256

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)SCC)S2)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S3/c1-4-27-21(26)16-8-11-18-19(14-16)30-22(24(18)12-13-28-3)23-20(25)15-6-9-17(10-7-15)29-5-2/h6-11,14H,4-5,12-13H2,1-3H3