N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzamide Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN2O3S/c1-13-19(14(2)28-25-13)12-27-17-5-3-4-15(10-17)22(26)24-20-8-9-29-21-7-6-16(23)11-18(20)21/h3-7,10-11,20H,8-9,12H2,1-2H3,(H,24,26)