[4-[(E)-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] ester IUPAC Name: [4-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/N3C=NC4=C(C3=O)C5=C(S4)CCCC5

InChI

InChI=1S/C25H21N3O4S/c1-31-18-12-8-17(9-13-18)25(30)32-19-10-6-16(7-11-19)14-27-28-15-26-23-22(24(28)29)20-4-2-3-5-21(20)33-23/h6-15H,2-5H2,1H3/b27-14+