5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-4-cyano-N,N-diethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide Traditional Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C#N)C

InChI

InChI=1S/C21H21N3O4S/c1-4-24(5-2)21(26)19-13(3)15(11-22)20(29-19)23-18(25)9-7-14-6-8-16-17(10-14)28-12-27-16/h6-10H,4-5,12H2,1-3H3,(H,23,25)/b9-7+