methyl 3-(2-methylsulfanylethyl)-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S2/c1-27-18(24)13-5-8-15-16(11-13)29-19(21(15)9-10-28-2)20-17(23)12-3-6-14(7-4-12)22(25)26/h3-8,11H,9-10H2,1-2H3