ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H15N5O9S2 MolecularWeight: 509.4698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O9S2/c1-2-32-16(24)9-21-14-4-3-13(34(19,30)31)8-15(14)33-18(21)20-17(25)10-5-11(22(26)27)7-12(6-10)23(28)29/h3-8H,2,9H2,1H3,(H2,19,30,31)