4-[2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[2-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[2-(2-amino-2-oxo-ethoxy)-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2-(2-amino-2-keto-ethoxy)-4-methoxy-5-(2-thienyl)phenyl]acryloyl]benzoic acid Formula: C23H19NO6S MolecularWeight: 437.46506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CS2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OCC(=O)N

InChI

InChI=1S/C23H19NO6S/c1-13(22(26)14-5-7-15(8-6-14)23(27)28)16-10-17(20-4-3-9-31-20)18(29-2)11-19(16)30-12-21(24)25/h3-11H,1,12H2,2H3,(H2,24,25)(H,27,28)