[(E)-[azanyl-(4-bromophenyl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [(E)-[azanyl-(4-bromophenyl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate Openeye Name: [(E)-[amino-(4-bromophenyl)methylene]amino] 3-benzylsulfanylpropanoate CAS Name: 3-(phenylmethylthio)propanoic acid [(E)-[amino-(4-bromophenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(4-bromophenyl)methylidene]amino] 3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)propionic acid [(E)-[amino-(4-bromophenyl)methylene]amino] ester Formula: C17H17BrN2O2S MolecularWeight: 393.29808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)ON=C(C2=CC=C(C=C2)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)O/N=C(\C2=CC=C(C=C2)Br)/N

InChI

InChI=1S/C17H17BrN2O2S/c18-15-8-6-14(7-9-15)17(19)20-22-16(21)10-11-23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,19,20)