ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-chlorobenzothiophene-2-carbonyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-chloro-1-benzothiophene-2-carbonyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-chlorobenzothiophene-2-carbonyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H19ClN2O3S3 MolecularWeight: 491.04586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C4=CC=CC=C4S3)Cl)S2)CCSC

InChI

InChI=1S/C22H19ClN2O3S3/c1-3-28-21(27)13-8-9-15-17(12-13)31-22(25(15)10-11-29-2)24-20(26)19-18(23)14-6-4-5-7-16(14)30-19/h4-9,12H,3,10-11H2,1-2H3