N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-(3-cyano-5-methyl-4-phenyl-thiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-(3-cyano-5-methyl-4-phenyl-2-thiophenyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H16N2O3S MolecularWeight: 376.42834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCCO3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S/c1-13-19(14-5-3-2-4-6-14)16(12-22)21(27-13)23-20(24)15-7-8-17-18(11-15)26-10-9-25-17/h2-8,11H,9-10H2,1H3,(H,23,24)