2-[(2-methylpropan-2-yl)oxycarbonyl-(4-sulfanylphenyl)amino]ethanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl-(4-sulfanylphenyl)amino]ethanoic acid Openeye Name: 2-(N-tert-butoxycarbonyl-4-sulfanyl-anilino)acetic acid CAS Name: 2-(4-mercapto-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)acetic acid IUPAC Name: 2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-sulfanylanilino]acetic acid Traditional Name: 2-(N-tert-butoxycarbonyl-4-mercapto-anilino)acetic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-13(2,3)18-12(17)14(8-11(15)16)9-4-6-10(19)7-5-9/h4-7,19H,8H2,1-3H3,(H,15,16)