methyl (2R)-2-phenyl-3-(propan-2-ylamino)-3-sulfanylidene-propanoate

Systemtic Name: methyl (2R)-2-phenyl-3-(propan-2-ylamino)-3-sulfanylidene-propanoate Openeye Name: methyl (2R)-3-(isopropylamino)-2-phenyl-3-thioxo-propanoate CAS Name: (2R)-2-phenyl-3-(propan-2-ylamino)-3-sulfanylidenepropanoic acid methyl ester IUPAC Name: methyl (2R)-2-phenyl-3-(propan-2-ylamino)-3-sulfanylidenepropanoate Traditional Name: (2R)-3-(isopropylamino)-2-phenyl-3-thioxo-propionic acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=S)[C@H](C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C13H17NO2S/c1-9(2)14-12(17)11(13(15)16-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,17)/t11-/m0/s1