2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: 2-[tert-butoxycarbonyl(methyl)amino]-3-(6-thioxocyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 2-[tert-butoxycarbonyl(methyl)amino]-3-(6-thioxocyclohexa-1,3-dien-1-yl)propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16(4)11(13(17)18)9-10-7-5-6-8-12(10)21/h5-7,11H,8-9H2,1-4H3,(H,17,18)