6-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(2,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(2,4-dichloroanilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(2,4-dichloroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 6-[2-(2,4-dichloroanilino)-2-keto-ethyl]-5-keto-thiomorpholine-3-carboxylic acid Formula: C13H12Cl2N2O4S MolecularWeight: 363.21638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C13H12Cl2N2O4S/c14-6-1-2-8(7(15)3-6)16-11(18)4-10-12(19)17-9(5-22-10)13(20)21/h1-3,9-10H,4-5H2,(H,16,18)(H,17,19)(H,20,21)