methyl 3-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[(E)-3-(4-nitrophenyl)acryloyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H18N4O7S2 MolecularWeight: 490.50952

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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)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O7S2/c1-31-19(26)10-11-23-16-8-7-15(33(21,29)30)12-17(16)32-20(23)22-18(25)9-4-13-2-5-14(6-3-13)24(27)28/h2-9,12H,10-11H2,1H3,(H2,21,29,30)/b9-4+,22-20?