2-isocyanato-2-(4-oxidanyl-2-phenylsulfanyl-thieno[2,3-c]pyridin-5-yl)ethanoic acid

Systemtic Name: 2-isocyanato-2-(4-oxidanyl-2-phenylsulfanyl-thieno[2,3-c]pyridin-5-yl)ethanoic acid Openeye Name: 2-(4-hydroxy-2-phenylsulfanyl-thieno[2,3-c]pyridin-5-yl)-2-isocyanato-acetic acid CAS Name: 2-[4-hydroxy-2-(phenylthio)-5-thieno[2,3-c]pyridinyl]-2-isocyanatoacetic acid IUPAC Name: 2-(4-hydroxy-2-phenylsulfanylthieno[2,3-c]pyridin-5-yl)-2-isocyanatoacetic acid Traditional Name: 2-[4-hydroxy-2-(phenylthio)thieno[2,3-c]pyridin-5-yl]-2-isocyanato-acetic acid Formula: C16H10N2O4S2 MolecularWeight: 358.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC3=C(C(=NC=C3S2)C(C(=O)O)N=C=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC3=C(C(=NC=C3S2)C(C(=O)O)N=C=O)O

InChI

InChI=1S/C16H10N2O4S2/c19-8-18-14(16(21)22)13-15(20)10-6-12(24-11(10)7-17-13)23-9-4-2-1-3-5-9/h1-7,14,20H,(H,21,22)