2-[[(Z)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[[(Z)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[(Z)-3-(benzothiophen-6-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[(Z)-3-(1-benzothiophen-6-yl)-1-oxobut-2-enyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[(Z)-3-(1-benzothiophen-6-yl)but-2-enoyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[(Z)-3-(benzothiophen-6-yl)but-2-enoyl]amino]-4,5-dimethoxy-benzoic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)C2=CC3=C(C=C2)C=CS3

Isomeric SMILES

C/C(=C/C(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC)/C2=CC3=C(C=C2)C=CS3

InChI

InChI=1S/C21H19NO5S/c1-12(14-5-4-13-6-7-28-19(13)9-14)8-20(23)22-16-11-18(27-3)17(26-2)10-15(16)21(24)25/h4-11H,1-3H3,(H,22,23)(H,24,25)/b12-8-