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

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic 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 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC3=CC(=O)N4C5=CC=CC=C5SC4=N3)C

InChI

InChI=1S/C22H17N3O3S/c1-12-13(2)23-17-8-7-14(9-16(12)17)21(27)28-11-15-10-20(26)25-18-5-3-4-6-19(18)29-22(25)24-15/h3-10,23H,11H2,1-2H3