methyl 6-[oxidanyl(1-phenylethyl)amino]-6-sulfanylidene-hexanoate

Systemtic Name: methyl 6-[oxidanyl(1-phenylethyl)amino]-6-sulfanylidene-hexanoate Openeye Name: methyl 6-[hydroxy(1-phenylethyl)amino]-6-thioxo-hexanoate CAS Name: 6-[hydroxy(1-phenylethyl)amino]-6-sulfanylidenehexanoic acid methyl ester IUPAC Name: methyl 6-[hydroxy(1-phenylethyl)amino]-6-sulfanylidenehexanoate Traditional Name: 6-[hydroxy(1-phenylethyl)amino]-6-thioxo-hexanoic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C(=S)CCCCC(=O)OC)O

Isomeric SMILES

CC(C1=CC=CC=C1)N(C(=S)CCCCC(=O)OC)O

InChI

InChI=1S/C15H21NO3S/c1-12(13-8-4-3-5-9-13)16(18)14(20)10-6-7-11-15(17)19-2/h3-5,8-9,12,18H,6-7,10-11H2,1-2H3