S-[(2,4-dimethoxyphenyl)-[1-(2-fluorophenyl)pyrrol-2-yl]methyl] ethanethioate

Systemtic Name: S-[(2,4-dimethoxyphenyl)-[1-(2-fluorophenyl)pyrrol-2-yl]methyl] ethanethioate Openeye Name: S-[(2,4-dimethoxyphenyl)-[1-(2-fluorophenyl)pyrrol-2-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[(2,4-dimethoxyphenyl)-[1-(2-fluorophenyl)-2-pyrrolyl]methyl] ester IUPAC Name: S-[(2,4-dimethoxyphenyl)-[1-(2-fluorophenyl)pyrrol-2-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[(2,4-dimethoxyphenyl)-[1-(2-fluorophenyl)pyrrol-2-yl]methyl] ester Formula: C21H20FNO3S MolecularWeight: 385.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=C(C=C(C=C1)OC)OC)C2=CC=CN2C3=CC=CC=C3F

Isomeric SMILES

CC(=O)SC(C1=C(C=C(C=C1)OC)OC)C2=CC=CN2C3=CC=CC=C3F

InChI

InChI=1S/C21H20FNO3S/c1-14(24)27-21(16-11-10-15(25-2)13-20(16)26-3)19-9-6-12-23(19)18-8-5-4-7-17(18)22/h4-13,21H,1-3H3