(E)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide

Systemtic Name: (E)-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Openeye Name: (E)-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide CAS Name: (E)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenamide IUPAC Name: (E)-N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enamide Traditional Name: (E)-N-(3-cyano-4,5-dimethyl-2-thienyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C19H18N2O3S/c1-12-13(2)25-19(15(12)11-20)21-18(22)7-5-14-4-6-16-17(10-14)24-9-3-8-23-16/h4-7,10H,3,8-9H2,1-2H3,(H,21,22)/b7-5+