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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCN1C2=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/c1-32-16(24)4-5-21-14-3-2-13(34(19,30)31)9-15(14)33-18(21)20-17(25)10-6-11(22(26)27)8-12(7-10)23(28)29/h2-3,6-9H,4-5H2,1H3,(H2,19,30,31)