[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c19-15-8-6-14(7-9-15)12-20-17(21)13-23-18(22)10-11-24-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,21)