N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-nitro-benzamide Openeye Name: 4-methoxy-3-nitro-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-[(4S)-thiochroman-4-yl]benzamide Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H]2CCSC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O4S/c1-23-15-7-6-11(10-14(15)19(21)22)17(20)18-13-8-9-24-16-5-3-2-4-12(13)16/h2-7,10,13H,8-9H2,1H3,(H,18,20)/t13-/m0/s1