1-chloranyl-3-phenylsulfanyl-butan-2-one; (phenylmethyl) carbamate

Systemtic Name: 1-chloranyl-3-phenylsulfanyl-butan-2-one; (phenylmethyl) carbamate Openeye Name: benzyl carbamate; 1-chloro-3-phenylsulfanyl-butan-2-one CAS Name: carbamic acid (phenylmethyl) ester; 1-chloro-3-(phenylthio)-2-butanone IUPAC Name: benzyl carbamate; 1-chloro-3-phenylsulfanylbutan-2-one Traditional Name: carbamic acid benzyl ester; 1-chloro-3-(phenylthio)butan-2-one Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCl)SC1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)N

Isomeric SMILES

CC(C(=O)CCl)SC1=CC=CC=C1.C1=CC=C(C=C1)COC(=O)N

InChI

InChI=1S/C10H11ClOS.C8H9NO2/c1-8(10(12)7-11)13-9-5-3-2-4-6-9;9-8(10)11-6-7-4-2-1-3-5-7/h2-6,8H,7H2,1H3;1-5H,6H2,(H2,9,10)