ethyl 6-[4-[(3-fluorophenyl)carbonylamino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate

Systemtic Name: ethyl 6-[4-[(3-fluorophenyl)carbonylamino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Openeye Name: ethyl 6-[4-[(3-fluorobenzoyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate CAS Name: 6-[4-[[(3-fluorophenyl)-oxomethyl]amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3-fluorobenzoyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Traditional Name: 6-[4-[(3-fluorobenzoyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester Formula: C29H26FN3O3S MolecularWeight: 515.598443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CCCS2)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)F)CCCS2)C5=CC=CC=C5

InChI

InChI=1S/C29H26FN3O3S/c1-2-36-28(35)24-25(19-8-4-3-5-9-19)32-29-33(16-7-17-37-29)26(24)20-12-14-23(15-13-20)31-27(34)21-10-6-11-22(30)18-21/h3-6,8-15,18,26H,2,7,16-17H2,1H3,(H,31,34)