4-methyl-2-(phenylcarbamothioyloxy)pentanoic acid

Systemtic Name: 4-methyl-2-(phenylcarbamothioyloxy)pentanoic acid Openeye Name: 4-methyl-2-(phenylcarbamothioyloxy)pentanoic acid CAS Name: 2-[anilino(sulfanylidene)methoxy]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-(phenylcarbamothioyloxy)pentanoic acid Traditional Name: 4-methyl-2-(phenylthiocarbamoyloxy)valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)OC(=S)NC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)OC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-9(2)8-11(12(15)16)17-13(18)14-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,18)(H,15,16)