[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC=CC(=O)OCC(=O)NCC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)S/C=C/C(=O)OCC(=O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H16ClNO3S/c19-16-9-5-4-6-14(16)12-20-17(21)13-23-18(22)10-11-24-15-7-2-1-3-8-15/h1-11H,12-13H2,(H,20,21)/b11-10+