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

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

Systemtic Name:(3S)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitro-but-3-en-2-yl]thian-4-one
Openeye Name:(3S)-3-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]tetrahydrothiopyran-4-one
CAS Name:(3S)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]-4-thianone
IUPAC Name:(3S)-3-[(E,2S)-4-(4-methoxyphenyl)-1-nitrobut-3-en-2-yl]thian-4-one
Traditional Name:(3S)-3-[(E,1S)-3-(4-methoxyphenyl)-1-(nitromethyl)allyl]tetrahydrothiopyran-4-one
Formula: C16H19NO4S
MolecularWeight: 321.39136
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(C[N+](=O)[O-])C2CSCCC2=O


Isomeric SMILES

COC1=CC=C(C=C1)/C=C/[C@H](C[N+](=O)[O-])[C@@H]2CSCCC2=O


InChI

InChI=1S/C16H19NO4S/c1-21-14-6-3-12(4-7-14)2-5-13(10-17(19)20)15-11-22-9-8-16(15)18/h2-7,13,15H,8-11H2,1H3/b5-2+/t13-,15+/m1/s1


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