(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC2=CC(=O)N3C4=CC=CC=C4SC3=N2)NC(=O)C)C

InChI

InChI=1S/C20H17N3O4S2/c1-10-11(2)28-18(21-12(3)24)17(10)19(26)27-9-13-8-16(25)23-14-6-4-5-7-15(14)29-20(23)22-13/h4-8H,9H2,1-3H3,(H,21,24)