2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-3-morpholino-3-oxo-prop-1-enyl]benzoic acid CAS Name: 2-[(2,4-dichlorophenyl)thio]-5-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzoic acid Traditional Name: 2-[(2,4-dichlorophenyl)thio]-5-[(E)-3-keto-3-morpholino-prop-1-enyl]benzoic acid Formula: C20H17Cl2NO4S MolecularWeight: 438.32428

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C=CC2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)/C=C/C2=CC(=C(C=C2)SC3=C(C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H17Cl2NO4S/c21-14-3-5-18(16(22)12-14)28-17-4-1-13(11-15(17)20(25)26)2-6-19(24)23-7-9-27-10-8-23/h1-6,11-12H,7-10H2,(H,25,26)/b6-2+