N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-4,5-dimethoxy-2-nitro-benzamide Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17ClN2O5S/c1-25-15-8-12(14(21(23)24)9-16(15)26-2)18(22)20-13-5-6-27-17-4-3-10(19)7-11(13)17/h3-4,7-9,13H,5-6H2,1-2H3,(H,20,22)/t13-/m0/s1