(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(6-thioxocyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(6-thioxocyclohexa-1,3-dien-1-yl)propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CCC1=S)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CCC1=S)C(=O)O

InChI

InChI=1S/C14H19NO4S/c1-14(2,3)19-13(18)15-10(12(16)17)8-9-6-4-5-7-11(9)20/h4-6,10H,7-8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1