N-(3,4-dihydro-2H-thiochromen-4-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: 4-ethoxy-5-methoxy-2-nitro-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: 4-ethoxy-5-methoxy-2-nitro-N-thiochroman-4-yl-benzamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CCSC3=CC=CC=C23)OC

InChI

InChI=1S/C19H20N2O5S/c1-3-26-17-11-15(21(23)24)13(10-16(17)25-2)19(22)20-14-8-9-27-18-7-5-4-6-12(14)18/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,20,22)