[4-[[2-[[3-(4-bromophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[[2-[[3-(4-bromophenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-[[[2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]hydrazono]methyl]-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[[[2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[[2-[[3-(4-bromophenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-[[[2-[[3-(4-bromophenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C28H25BrN4O5S2 MolecularWeight: 641.5559

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Br)OC

InChI

InChI=1S/C28H25BrN4O5S2/c1-16(34)38-21-12-7-17(13-22(21)37-2)14-30-32-24(35)15-39-28-31-26-25(20-5-3-4-6-23(20)40-26)27(36)33(28)19-10-8-18(29)9-11-19/h7-14H,3-6,15H2,1-2H3,(H,32,35)