2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentan-3-yl]benzenecarbothioic S-acid

Systemtic Name: 2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentan-3-yl]benzenecarbothioic S-acid Openeye Name: 2-[3-[tert-butoxycarbonyl(methyl)amino]-1-ethyl-propyl]benzenecarbothioic S-acid CAS Name: 2-[1-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentan-3-yl]benzenecarbothioic S-acid IUPAC Name: 2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentan-3-yl]benzenecarbothioic S-acid Traditional Name: 2-[3-[tert-butoxycarbonyl(methyl)amino]-1-ethyl-propyl]thiobenzoic acid Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN(C)C(=O)OC(C)(C)C)C1=CC=CC=C1C(=O)S

Isomeric SMILES

CCC(CCN(C)C(=O)OC(C)(C)C)C1=CC=CC=C1C(=O)S

InChI

InChI=1S/C18H27NO3S/c1-6-13(14-9-7-8-10-15(14)16(20)23)11-12-19(5)17(21)22-18(2,3)4/h7-10,13H,6,11-12H2,1-5H3,(H,20,23)