ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-oxidanylidene-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Openeye Name: ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate CAS Name: (2E)-5-(4-chlorophenyl)-7-methyl-2-[[1-[(4-nitrophenyl)methyl]-3-indolyl]methylidene]-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate Traditional Name: (2E)-5-(4-chlorophenyl)-3-keto-7-methyl-2-[[1-(4-nitrobenzyl)indol-3-yl]methylene]-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C32H25ClN4O5S MolecularWeight: 613.0827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CN(C5=CC=CC=C54)CC6=CC=C(C=C6)[N+](=O)[O-])S2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C\C4=CN(C5=CC=CC=C54)CC6=CC=C(C=C6)[N+](=O)[O-])/S2)C

InChI

InChI=1S/C32H25ClN4O5S/c1-3-42-31(39)28-19(2)34-32-36(29(28)21-10-12-23(33)13-11-21)30(38)27(43-32)16-22-18-35(26-7-5-4-6-25(22)26)17-20-8-14-24(15-9-20)37(40)41/h4-16,18,29H,3,17H2,1-2H3/b27-16+