3-[(2,4-dichlorophenyl)carbonyl-(1,3-dioxolan-2-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(1,3-dioxolan-2-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-(1,3-dioxolan-2-ylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(1,3-dioxolan-2-ylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(1,3-dioxolan-2-ylmethyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-(1,3-dioxolan-2-ylmethyl)amino]-5-phenyl-2-thenoic acid Formula: C22H17Cl2NO5S MolecularWeight: 478.34508

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1COC(O1)CN(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl2NO5S/c23-14-6-7-15(16(24)10-14)21(26)25(12-19-29-8-9-30-19)17-11-18(31-20(17)22(27)28)13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12H2,(H,27,28)