O-[[(3S)-4-(4-chlorophenyl)-2-oxidanylidene-oxolan-3-yl]methyl] 4-methylbenzenecarbothioate

Systemtic Name: O-[[(3S)-4-(4-chlorophenyl)-2-oxidanylidene-oxolan-3-yl]methyl] 4-methylbenzenecarbothioate Openeye Name: O-[[(3S)-4-(4-chlorophenyl)-2-oxo-tetrahydrofuran-3-yl]methyl] 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid O-[[(3S)-4-(4-chlorophenyl)-2-oxo-3-oxolanyl]methyl] ester IUPAC Name: O-[[(3S)-4-(4-chlorophenyl)-2-oxooxolan-3-yl]methyl] 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid O-[[(3S)-4-(4-chlorophenyl)-2-keto-tetrahydrofuran-3-yl]methyl] ester Formula: C19H17ClO3S MolecularWeight: 360.85448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)OCC2C(COC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)OC[C@@H]2C(COC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClO3S/c1-12-2-4-14(5-3-12)19(24)23-11-17-16(10-22-18(17)21)13-6-8-15(20)9-7-13/h2-9,16-17H,10-11H2,1H3/t16?,17-/m1/s1