(4-nitrophenyl) (Z)-3-(phenylmethylsulfanyl)prop-2-enoate

Systemtic Name: (4-nitrophenyl) (Z)-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: (4-nitrophenyl) (Z)-3-benzylsulfanylprop-2-enoate CAS Name: (Z)-3-(phenylmethylthio)-2-propenoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (Z)-3-benzylsulfanylprop-2-enoate Traditional Name: (Z)-3-(benzylthio)acrylic acid (4-nitrophenyl) ester Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS/C=C\C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S/c18-16(10-11-22-12-13-4-2-1-3-5-13)21-15-8-6-14(7-9-15)17(19)20/h1-11H,12H2/b11-10-