ethyl 2-(3,5-dinitrophenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3,5-dinitrophenyl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3,5-dinitrobenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dinitrobenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3,5-dinitrobenzoyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H18N4O7S2 MolecularWeight: 490.50952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O7S2/c1-3-31-19(26)12-4-5-16-17(10-12)33-20(22(16)6-7-32-2)21-18(25)13-8-14(23(27)28)11-15(9-13)24(29)30/h4-5,8-11H,3,6-7H2,1-2H3