2-[3-(ethoxycarbothioylsulfanylmethyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid

Systemtic Name: 2-[3-(ethoxycarbothioylsulfanylmethyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-[3-(ethoxycarbothioylsulfanylmethyl)-4-hydroxy-phenyl]acetic acid CAS Name: 2-[3-[[[ethoxy(sulfanylidene)methyl]thio]methyl]-4-hydroxyphenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[3-(ethoxycarbothioylsulfanylmethyl)-4-hydroxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-[3-[(ethoxycarbothioylthio)methyl]-4-hydroxy-phenyl]acetic acid Formula: C17H23NO6S2 MolecularWeight: 401.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC1=C(C=CC(=C1)C(C(=O)O)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCOC(=S)SCC1=C(C=CC(=C1)C(C(=O)O)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C17H23NO6S2/c1-5-23-16(25)26-9-11-8-10(6-7-12(11)19)13(14(20)21)18-15(22)24-17(2,3)4/h6-8,13,19H,5,9H2,1-4H3,(H,18,22)(H,20,21)