methyl 2-(5-bromanylthiophen-2-yl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(5-bromanylthiophen-2-yl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(5-bromothiophene-2-carbonyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(5-bromo-2-thiophenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-bromothiophene-2-carbonyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(5-bromothiophene-2-carbonyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H15BrN2O3S3 MolecularWeight: 471.4116

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CCSC

InChI

InChI=1S/C17H15BrN2O3S3/c1-23-16(22)10-3-4-11-13(9-10)26-17(20(11)7-8-24-2)19-15(21)12-5-6-14(18)25-12/h3-6,9H,7-8H2,1-2H3