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

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(5-nitro-2-furoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H15N3O6S2 MolecularWeight: 421.4475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(O3)[N+](=O)[O-])S2)CCSC

InChI

InChI=1S/C17H15N3O6S2/c1-25-16(22)10-3-4-11-13(9-10)28-17(19(11)7-8-27-2)18-15(21)12-5-6-14(26-12)20(23)24/h3-6,9H,7-8H2,1-2H3