[cyano-(4-thiophen-2-ylcarbonylphenyl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [cyano-(4-thiophen-2-ylcarbonylphenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [cyano-[4-(thiophene-2-carbonyl)phenyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [cyano-[4-[oxo(thiophen-2-yl)methyl]phenyl]methyl] ester IUPAC Name: [cyano-[4-(thiophene-2-carbonyl)phenyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [cyano-[4-(2-thenoyl)phenyl]methyl] ester Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=CC=C(C=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=CC=C(C=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H15NO4S2/c1-14-4-10-17(11-5-14)27(23,24)25-18(13-21)15-6-8-16(9-7-15)20(22)19-3-2-12-26-19/h2-12,18H,1H3