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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-2-nitro-benzamide Openeye Name: 3-methyl-2-nitro-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-2-nitrobenzamide Traditional Name: 3-methyl-2-nitro-N-[(4S)-thiochroman-4-yl]benzamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N[C@H]2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H16N2O3S/c1-11-5-4-7-13(16(11)19(21)22)17(20)18-14-9-10-23-15-8-3-2-6-12(14)15/h2-8,14H,9-10H2,1H3,(H,18,20)/t14-/m0/s1