methyl 3-[6-sulfamoyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-sulfamoyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-sulfamoyl-2-[(E)-3-(2-thienyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-sulfamoyl-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-[(E)-3-(2-thienyl)acryloyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H17N3O5S3 MolecularWeight: 451.53968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C=CC3=CC=CS3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H17N3O5S3/c1-26-17(23)8-9-21-14-6-5-13(29(19,24)25)11-15(14)28-18(21)20-16(22)7-4-12-3-2-10-27-12/h2-7,10-11H,8-9H2,1H3,(H2,19,24,25)/b7-4+,20-18?