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

Systemtic Name: ethyl 6-[4-[(2-chloranyl-4-nitro-phenyl)carbonylamino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Openeye Name: ethyl 6-[4-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate CAS Name: 6-[4-[[(2-chloro-4-nitrophenyl)-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-[(2-chloro-4-nitrobenzoyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate Traditional Name: 6-[4-[(2-chloro-4-nitro-benzoyl)amino]phenyl]-8-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester Formula: C29H25ClN4O5S MolecularWeight: 577.0506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)CCCS2)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)CCCS2)C5=CC=CC=C5

InChI

InChI=1S/C29H25ClN4O5S/c1-2-39-28(36)24-25(18-7-4-3-5-8-18)32-29-33(15-6-16-40-29)26(24)19-9-11-20(12-10-19)31-27(35)22-14-13-21(34(37)38)17-23(22)30/h3-5,7-14,17,26H,2,6,15-16H2,1H3,(H,31,35)