methyl 6-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-[2-(allyloxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[[2-[2-[[oxo(prop-2-enoxy)methyl]amino]ethylthio]-1,3-benzothiazol-6-yl]amino]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-[2-(allyloxycarbonylamino)ethylthio]-1,3-benzothiazol-6-yl]carbamoyl]nicotinic acid methyl ester Formula: C21H20N4O5S2 MolecularWeight: 472.5373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCNC(=O)OCC=C

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCNC(=O)OCC=C

InChI

InChI=1S/C21H20N4O5S2/c1-3-9-30-20(28)22-8-10-31-21-25-15-7-5-14(11-17(15)32-21)24-18(26)16-6-4-13(12-23-16)19(27)29-2/h3-7,11-12H,1,8-10H2,2H3,(H,22,28)(H,24,26)