4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid; 2-oxidanylbutanedioic acid

Systemtic Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid; 2-oxidanylbutanedioic acid Openeye Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid; 2-hydroxybutanedioic acid CAS Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid; 2-hydroxybutanedioic acid IUPAC Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid; 2-hydroxybutanedioic acid Traditional Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)thiobutyric acid; malic acid Formula: C18H25Cl2NO6S MolecularWeight: 454.3652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(CC(=O)S)C1=CC(=C(C=C1)Cl)Cl.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(CC(=O)S)C1=CC(=C(C=C1)Cl)Cl.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C14H19Cl2NOS.C4H6O5/c1-14(2,3)17-8-10(7-13(18)19)9-4-5-11(15)12(16)6-9;5-2(4(8)9)1-3(6)7/h4-6,10,17H,7-8H2,1-3H3,(H,18,19);2,5H,1H2,(H,6,7)(H,8,9)