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

Systemtic Name: methyl 8-ethyl-6-[4-(3-phenylpropanoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Openeye Name: methyl 8-ethyl-6-[4-(3-phenylpropanoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate CAS Name: 8-ethyl-6-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid methyl ester IUPAC Name: methyl 8-ethyl-6-[4-(3-phenylpropanoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Traditional Name: 8-ethyl-6-[4-(hydrocinnamoylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N2CCCSC2=N1)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCC1=C(C(N2CCCSC2=N1)C3=CC=C(C=C3)NC(=O)CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O3S/c1-3-21-23(25(31)32-2)24(29-16-7-17-33-26(29)28-21)19-11-13-20(14-12-19)27-22(30)15-10-18-8-5-4-6-9-18/h4-6,8-9,11-14,24H,3,7,10,15-17H2,1-2H3,(H,27,30)