N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-5-(2-methoxyphenyl)isoxazole-3-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-5-(2-methoxyphenyl)-3-isoxazolecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-5-(2-methoxyphenyl)isoxazole-3-carboxamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NO2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-25-17-5-3-2-4-13(17)18-11-16(23-26-18)20(24)22-15-8-9-27-19-7-6-12(21)10-14(15)19/h2-7,10-11,15H,8-9H2,1H3,(H,22,24)