S-(phenylmethyl) (E)-4-(2-nitrophenyl)but-3-enethioate

Systemtic Name: S-(phenylmethyl) (E)-4-(2-nitrophenyl)but-3-enethioate Openeye Name: S-benzyl (E)-4-(2-nitrophenyl)but-3-enethioate CAS Name: (E)-4-(2-nitrophenyl)-3-butenethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl (E)-4-(2-nitrophenyl)but-3-enethioate Traditional Name: (E)-4-(2-nitrophenyl)but-3-enethioic acid S-benzyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)CC=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)C/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15NO3S/c19-17(22-13-14-7-2-1-3-8-14)12-6-10-15-9-4-5-11-16(15)18(20)21/h1-11H,12-13H2/b10-6+