4-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: 4-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: 4-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]thio]benzoate IUPAC Name: 4-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 4-[[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]thio]benzoate Formula: C15H20NO3S- MolecularWeight: 294.3892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)SC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)SC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C15H21NO3S/c1-10(2)8-9-16-14(17)11(3)20-13-6-4-12(5-7-13)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1