2-isocyanato-2-(7-oxidanyl-2-phenylsulfanyl-thieno[3,2-c]pyridin-6-yl)ethanoic acid

Systemtic Name: 2-isocyanato-2-(7-oxidanyl-2-phenylsulfanyl-thieno[3,2-c]pyridin-6-yl)ethanoic acid Openeye Name: 2-(7-hydroxy-2-phenylsulfanyl-thieno[3,2-c]pyridin-6-yl)-2-isocyanato-acetic acid CAS Name: 2-[7-hydroxy-2-(phenylthio)-6-thieno[3,2-c]pyridinyl]-2-isocyanatoacetic acid IUPAC Name: 2-(7-hydroxy-2-phenylsulfanylthieno[3,2-c]pyridin-6-yl)-2-isocyanatoacetic acid Traditional Name: 2-[7-hydroxy-2-(phenylthio)thieno[3,2-c]pyridin-6-yl]-2-isocyanato-acetic acid Formula: C16H10N2O4S2 MolecularWeight: 358.3916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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