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

Systemtic Name: methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylimino]-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H17ClN2O3S3 MolecularWeight: 477.01928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S3/c1-27-20(26)12-7-8-14-16(11-12)30-21(24(14)9-10-28-2)23-19(25)18-17(22)13-5-3-4-6-15(13)29-18/h3-8,11H,9-10H2,1-2H3