2-aminocarbonylsulfanyl-2-[4-(2-chlorophenyl)phenyl]ethanoic acid; 3-methyl-1,2-oxathiirane

Systemtic Name: 2-aminocarbonylsulfanyl-2-[4-(2-chlorophenyl)phenyl]ethanoic acid; 3-methyl-1,2-oxathiirane Openeye Name: 2-carbamoylsulfanyl-2-[4-(2-chlorophenyl)phenyl]acetic acid; 3-methyloxathiirane CAS Name: 2-(carbamoylthio)-2-[4-(2-chlorophenyl)phenyl]acetic acid; 3-methyloxathiirane IUPAC Name: 2-carbamoylsulfanyl-2-[4-(2-chlorophenyl)phenyl]acetic acid; 3-methyloxathiirane Traditional Name: 2-(carbamoylthio)-2-[4-(2-chlorophenyl)phenyl]acetic acid; 3-methyloxathiirane Formula: C17H16ClNO4S2 MolecularWeight: 397.89624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1OS1.C1=CC=C(C(=C1)C2=CC=C(C=C2)C(C(=O)O)SC(=O)N)Cl

Isomeric SMILES

CC1OS1.C1=CC=C(C(=C1)C2=CC=C(C=C2)C(C(=O)O)SC(=O)N)Cl

InChI

InChI=1S/C15H12ClNO3S.C2H4OS/c16-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(14(18)19)21-15(17)20;1-2-3-4-2/h1-8,13H,(H2,17,20)(H,18,19);2H,1H3