4-[(E)-3-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-methoxy-5-thiophen-2-yl-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[2-(2-amino-2-oxo-ethoxy)-4-methoxy-5-(2-thienyl)phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-thiophen-2-ylphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[2-(2-amino-2-oxoethoxy)-4-methoxy-5-thiophen-2-ylphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[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=CC(=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/c1-29-20-12-19(30-13-22(24)26)16(11-17(20)21-3-2-10-31-21)8-9-18(25)14-4-6-15(7-5-14)23(27)28/h2-12H,13H2,1H3,(H2,24,26)(H,27,28)/b9-8+