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

Systemtic Name: ethyl 3-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[(E)-3-(3-nitrophenyl)acryloyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H20N4O7S2 MolecularWeight: 504.5361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O7S2/c1-2-32-20(27)10-11-24-17-8-7-16(34(22,30)31)13-18(17)33-21(24)23-19(26)9-6-14-4-3-5-15(12-14)25(28)29/h3-9,12-13H,2,10-11H2,1H3,(H2,22,30,31)/b9-6+,23-21?