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

Systemtic Name: ethyl 8-phenyl-6-[4-(3-phenylpropanoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Openeye Name: ethyl 8-phenyl-6-[4-(3-phenylpropanoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate CAS Name: 6-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 8-phenyl-6-[4-(3-phenylpropanoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Traditional Name: 6-[4-(hydrocinnamoylamino)phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4)CCCS2)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4)CCCS2)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-2-37-30(36)27-28(23-12-7-4-8-13-23)33-31-34(20-9-21-38-31)29(27)24-15-17-25(18-16-24)32-26(35)19-14-22-10-5-3-6-11-22/h3-8,10-13,15-18,29H,2,9,14,19-21H2,1H3,(H,32,35)