2-azanyl-2-[3-(ethoxycarbothioylsulfanylmethyl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-azanyl-2-[3-(ethoxycarbothioylsulfanylmethyl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-amino-2-[3-(ethoxycarbothioylsulfanylmethyl)-4-hydroxy-phenyl]acetic acid CAS Name: 2-amino-2-[3-[[[ethoxy(sulfanylidene)methyl]thio]methyl]-4-hydroxyphenyl]acetic acid IUPAC Name: 2-amino-2-[3-(ethoxycarbothioylsulfanylmethyl)-4-hydroxyphenyl]acetic acid Traditional Name: 2-amino-2-[3-[(ethoxycarbothioylthio)methyl]-4-hydroxy-phenyl]acetic acid Formula: C12H15NO4S2 MolecularWeight: 301.3818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC1=C(C=CC(=C1)C(C(=O)O)N)O

Isomeric SMILES

CCOC(=S)SCC1=C(C=CC(=C1)C(C(=O)O)N)O

InChI

InChI=1S/C12H15NO4S2/c1-2-17-12(18)19-6-8-5-7(3-4-9(8)14)10(13)11(15)16/h3-5,10,14H,2,6,13H2,1H3,(H,15,16)