N-(3-cyanothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(3-cyano-2-thienyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H16N2O3S2/c1-11(16(20)19-17-12(10-18)5-8-23-17)24-13-3-4-14-15(9-13)22-7-2-6-21-14/h3-5,8-9,11H,2,6-7H2,1H3,(H,19,20)