[4-[(5-azanylidene-2-methyl-7-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 3-methoxybenzoate

Systemtic Name: [4-[(5-azanylidene-2-methyl-7-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-bromanyl-6-ethoxy-phenyl] 3-methoxybenzoate Openeye Name: [2-bromo-6-ethoxy-4-[(5-imino-2-methyl-7-oxo-thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-bromo-6-ethoxy-4-[(5-imino-2-methyl-7-oxo-6-thiazolo[3,2-a]pyrimidinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(5-imino-2-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [2-bromo-6-ethoxy-4-[(5-imino-7-keto-2-methyl-thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] ester Formula: C24H20BrN3O5S MolecularWeight: 542.4017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C=C(SC3=NC2=O)C)Br)OC(=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=N)N3C=C(SC3=NC2=O)C)Br)OC(=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H20BrN3O5S/c1-4-32-19-10-14(8-17-21(26)28-12-13(2)34-24(28)27-22(17)29)9-18(25)20(19)33-23(30)15-6-5-7-16(11-15)31-3/h5-12,26H,4H2,1-3H3