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

Systemtic Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid Openeye Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid CAS Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid IUPAC Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)butanethioic S-acid Traditional Name: 4-(tert-butylamino)-3-(3,4-dichlorophenyl)thiobutyric acid Formula: C14H19Cl2NOS MolecularWeight: 320.27776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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