ethyl 2-azanyl-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-propanoate

Systemtic Name: ethyl 2-azanyl-3-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-propanoate Openeye Name: ethyl 2-amino-3-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: 2-amino-3-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[2-(benzylamino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-amino-3-[[2-(benzylamino)-2-keto-ethyl]thio]propionic acid ethyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(=O)NCC1=CC=CC=C1)N

Isomeric SMILES

CCOC(=O)C(CSCC(=O)NCC1=CC=CC=C1)N

InChI

InChI=1S/C14H20N2O3S/c1-2-19-14(18)12(15)9-20-10-13(17)16-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,16,17)