(3S)-3-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]thian-4-one

Systemtic Name: (3S)-3-[(E,2S)-1-nitro-4-phenyl-but-3-en-2-yl]thian-4-one Openeye Name: (3S)-3-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]tetrahydrothiopyran-4-one CAS Name: (3S)-3-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]-4-thianone IUPAC Name: (3S)-3-[(E,2S)-1-nitro-4-phenylbut-3-en-2-yl]thian-4-one Traditional Name: (3S)-3-[(E,1S)-1-(nitromethyl)-3-phenyl-allyl]tetrahydrothiopyran-4-one Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C1=O)C(C[N+](=O)[O-])C=CC2=CC=CC=C2

Isomeric SMILES

C1CSC[C@H](C1=O)[C@@H](C[N+](=O)[O-])/C=C/C2=CC=CC=C2

InChI

InChI=1S/C15H17NO3S/c17-15-8-9-20-11-14(15)13(10-16(18)19)7-6-12-4-2-1-3-5-12/h1-7,13-14H,8-11H2/b7-6+/t13-,14+/m1/s1