5-chloranyl-2-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)-1,3-benzoxazole

Systemtic Name: 5-chloranyl-2-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)-1,3-benzoxazole Openeye Name: 5-chloro-2-(isochroman-1-ylmethylsulfanyl)-1,3-benzoxazole CAS Name: 5-chloro-2-(3,4-dihydro-1H-2-benzopyran-1-ylmethylthio)-1,3-benzoxazole IUPAC Name: 5-chloro-2-(3,4-dihydro-1H-isochromen-1-ylmethylsulfanyl)-1,3-benzoxazole Traditional Name: 5-chloro-2-(isochroman-1-ylmethylthio)-1,3-benzoxazole Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1COC(C2=CC=CC=C21)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C17H14ClNO2S/c18-12-5-6-15-14(9-12)19-17(21-15)22-10-16-13-4-2-1-3-11(13)7-8-20-16/h1-6,9,16H,7-8,10H2