2-[[(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enoyl]amino]-5-phenyl-thiophene-3-carboxamide

Systemtic Name: 2-[[(E)-4-(1,3-benzodioxol-5-yl)-2-oxidanylidene-but-3-enoyl]amino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[[(E)-4-(1,3-benzodioxol-5-yl)-2-oxo-but-3-enoyl]amino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[(E)-4-(1,3-benzodioxol-5-yl)-1,2-dioxobut-3-enyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enoyl]amino]-5-phenylthiophene-3-carboxamide Traditional Name: 2-[[(E)-4-(1,3-benzodioxol-5-yl)-2-keto-but-3-enoyl]amino]-5-phenyl-thiophene-3-carboxamide Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C22H16N2O5S/c23-20(26)15-11-19(14-4-2-1-3-5-14)30-22(15)24-21(27)16(25)8-6-13-7-9-17-18(10-13)29-12-28-17/h1-11H,12H2,(H2,23,26)(H,24,27)/b8-6+