3-[tert-butyl(phenyl)amino]-3-sulfanylidene-propanoic acid

Systemtic Name: 3-[tert-butyl(phenyl)amino]-3-sulfanylidene-propanoic acid Openeye Name: 3-(N-tert-butylanilino)-3-thioxo-propanoic acid CAS Name: 3-(N-tert-butylanilino)-3-sulfanylidenepropanoic acid IUPAC Name: 3-(N-tert-butylanilino)-3-sulfanylidenepropanoic acid Traditional Name: 3-(N-tert-butylanilino)-3-thioxo-propionic acid Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1=CC=CC=C1)C(=S)CC(=O)O

Isomeric SMILES

CC(C)(C)N(C1=CC=CC=C1)C(=S)CC(=O)O

InChI

InChI=1S/C13H17NO2S/c1-13(2,3)14(11(17)9-12(15)16)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)