S-[[(2S,4R)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] N-phenylcarbamothioate

Systemtic Name: S-[[(2S,4R)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] N-phenylcarbamothioate Openeye Name: S-[[(2S,4R)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid S-[[(2S,4R)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] ester IUPAC Name: S-[[(2S,4R)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid S-[[(2S,4R)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CSC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@]1(OC[C@@H](O1)CSC(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-18(13-7-9-14(19)10-8-13)22-11-16(23-18)12-24-17(21)20-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,20,21)/t16-,18+/m1/s1