(2S)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(phenylthio)propanamide IUPAC Name: (2S)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(phenylthio)propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1Cl)OCCCO2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1Cl)OCCCO2)SC3=CC=CC=C3

InChI

InChI=1S/C18H18ClNO3S/c1-12(24-13-6-3-2-4-7-13)18(21)20-15-11-17-16(10-14(15)19)22-8-5-9-23-17/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21)/t12-/m0/s1