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

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(3-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(=CC=C2)Cl

Isomeric SMILES

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

InChI

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