[1-(3-methylphenoxy)-3-(phenylmethylsulfanyl)propan-2-yl]carbamic acid

Systemtic Name: [1-(3-methylphenoxy)-3-(phenylmethylsulfanyl)propan-2-yl]carbamic acid Openeye Name: [1-(benzylsulfanylmethyl)-2-(3-methylphenoxy)ethyl]carbamic acid CAS Name: [1-(3-methylphenoxy)-3-(phenylmethylthio)propan-2-yl]carbamic acid IUPAC Name: [1-benzylsulfanyl-3-(3-methylphenoxy)propan-2-yl]carbamic acid Traditional Name: [1-[(benzylthio)methyl]-2-(3-methylphenoxy)ethyl]carbamic acid Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CSCC2=CC=CC=C2)NC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CSCC2=CC=CC=C2)NC(=O)O

InChI

InChI=1S/C18H21NO3S/c1-14-6-5-9-17(10-14)22-11-16(19-18(20)21)13-23-12-15-7-3-2-4-8-15/h2-10,16,19H,11-13H2,1H3,(H,20,21)