3-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]-4-methoxy-benzoic acid Openeye Name: 3-[[(Z)-2-benzamido-3-(2-thienyl)prop-2-enoyl]amino]-4-methoxy-benzoic acid CAS Name: 3-[[(Z)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]-4-methoxybenzoic acid Traditional Name: 3-[[(Z)-2-benzamido-3-(2-thienyl)acryloyl]amino]-4-methoxy-benzoic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C(=CC2=CC=CS2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)/C(=C/C2=CC=CS2)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O5S/c1-29-19-10-9-15(22(27)28)12-17(19)23-21(26)18(13-16-8-5-11-30-16)24-20(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)/b18-13-