3-[(4-chlorophenyl)-oxidanyl-methyl]-4-cyano-5-morpholin-4-yl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-chlorophenyl)-oxidanyl-methyl]-4-cyano-5-morpholin-4-yl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-chlorophenyl)-hydroxy-methyl]-4-cyano-5-morpholino-thiophene-2-carboxylic acid CAS Name: 3-[(4-chlorophenyl)-hydroxymethyl]-4-cyano-5-(4-morpholinyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-chlorophenyl)-hydroxymethyl]-4-cyano-5-morpholin-4-ylthiophene-2-carboxylic acid Traditional Name: 3-[(4-chlorophenyl)-hydroxy-methyl]-4-cyano-5-morpholino-2-thenoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=C(S2)C(=O)O)C(C3=CC=C(C=C3)Cl)O)C#N

Isomeric SMILES

C1COCCN1C2=C(C(=C(S2)C(=O)O)C(C3=CC=C(C=C3)Cl)O)C#N

InChI

InChI=1S/C17H15ClN2O4S/c18-11-3-1-10(2-4-11)14(21)13-12(9-19)16(25-15(13)17(22)23)20-5-7-24-8-6-20/h1-4,14,21H,5-8H2,(H,22,23)