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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-nitrobenzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[(4S)-thiochroman-4-yl]benzamide Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c19-16(11-5-7-12(8-6-11)18(20)21)17-14-9-10-22-15-4-2-1-3-13(14)15/h1-8,14H,9-10H2,(H,17,19)/t14-/m0/s1