2-chloranyl-N-[(3R,4R)-6-methoxy-4-oxidanyl-3,4-dihydro-2H-thiochromen-3-yl]ethanamide

Systemtic Name: 2-chloranyl-N-[(3R,4R)-6-methoxy-4-oxidanyl-3,4-dihydro-2H-thiochromen-3-yl]ethanamide Openeye Name: 2-chloro-N-[(3R,4R)-4-hydroxy-6-methoxy-thiochroman-3-yl]acetamide CAS Name: 2-chloro-N-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-1-benzothiopyran-3-yl]acetamide IUPAC Name: 2-chloro-N-[(3R,4R)-4-hydroxy-6-methoxy-3,4-dihydro-2H-thiochromen-3-yl]acetamide Traditional Name: 2-chloro-N-[(3R,4R)-4-hydroxy-6-methoxy-thiochroman-3-yl]acetamide Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCC(C2O)NC(=O)CCl

Isomeric SMILES

COC1=CC2=C(C=C1)SC[C@@H]([C@@H]2O)NC(=O)CCl

InChI

InChI=1S/C12H14ClNO3S/c1-17-7-2-3-10-8(4-7)12(16)9(6-18-10)14-11(15)5-13/h2-4,9,12,16H,5-6H2,1H3,(H,14,15)/t9-,12+/m0/s1