methyl 4-chloranyl-3-[5-[(E)-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[5-[(E)-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: methyl 4-chloro-3-[5-[(E)-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-furyl]benzoate CAS Name: 4-chloro-3-[5-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[5-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 4-chloro-3-[5-[(E)-(4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-furyl]benzoic acid methyl ester Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)C2=CC=C(O2)C=NN3C=NC4=C(C3=O)C5=C(S4)CCCC5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)C2=CC=C(O2)/C=N/N3C=NC4=C(C3=O)C5=C(S4)CCCC5

InChI

InChI=1S/C23H18ClN3O4S/c1-30-23(29)13-6-8-17(24)16(10-13)18-9-7-14(31-18)11-26-27-12-25-21-20(22(27)28)15-4-2-3-5-19(15)32-21/h6-12H,2-5H2,1H3/b26-11+