2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]-4-(4-phenylmethoxyphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[(3-ethoxy-3-oxidanylidene-propanoyl)amino]-4-(4-phenylmethoxyphenyl)thiophene-3-carboxylic acid Openeye Name: 4-(4-benzyloxyphenyl)-2-[(3-ethoxy-3-oxo-propanoyl)amino]thiophene-3-carboxylic acid CAS Name: 2-[(3-ethoxy-1,3-dioxopropyl)amino]-4-(4-phenylmethoxyphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(3-ethoxy-3-oxopropanoyl)amino]-4-(4-phenylmethoxyphenyl)thiophene-3-carboxylic acid Traditional Name: 4-(4-benzoxyphenyl)-2-[(3-ethoxy-3-keto-propanoyl)amino]-3-thenoic acid Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H21NO6S/c1-2-29-20(26)12-19(25)24-22-21(23(27)28)18(14-31-22)16-8-10-17(11-9-16)30-13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,24,25)(H,27,28)