2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-thiophen-2-yl-thiophene-3-carboxylic acid

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-thiophen-2-yl-thiophene-3-carboxylic acid Openeye Name: 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-4-thiophen-2-ylthiophene-3-carboxylic acid Traditional Name: 2-[[3-(3,4-dimethoxyphenyl)acryloyl]amino]-4-(2-thienyl)-3-thenoic acid Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)O)OC

InChI

InChI=1S/C20H17NO5S2/c1-25-14-7-5-12(10-15(14)26-2)6-8-17(22)21-19-18(20(23)24)13(11-28-19)16-4-3-9-27-16/h3-11H,1-2H3,(H,21,22)(H,23,24)