3-[2-(3,4-dichlorophenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(3,4-dichlorophenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-[2-(3,4-dichlorophenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(3,4-dichlorophenyl)acetyl]-prop-2-enylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl-[2-(3,4-dichlorophenyl)acetyl]amino]-5-phenyl-2-thenoic acid Formula: C22H17Cl2NO3S MolecularWeight: 446.34628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H17Cl2NO3S/c1-2-10-25(20(26)12-14-8-9-16(23)17(24)11-14)18-13-19(29-21(18)22(27)28)15-6-4-3-5-7-15/h2-9,11,13H,1,10,12H2,(H,27,28)