(3S)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-[(3,4-dichlorophenyl)methylthio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-[(3,4-dichlorobenzyl)thio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H17Cl2NO3S MolecularWeight: 398.30348

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NCCSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2NO3S/c19-13-6-5-12(9-14(13)20)11-25-8-7-21-18(22)17-10-23-15-3-1-2-4-16(15)24-17/h1-6,9,17H,7-8,10-11H2,(H,21,22)/t17-/m0/s1