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

Systemtic Name: 2-isocyanato-2-(7-oxidanyl-2-phenethyl-thieno[3,2-c]pyridin-6-yl)ethanoic acid Openeye Name: 2-(7-hydroxy-2-phenethyl-thieno[3,2-c]pyridin-6-yl)-2-isocyanato-acetic acid CAS Name: 2-(7-hydroxy-2-phenethyl-6-thieno[3,2-c]pyridinyl)-2-isocyanatoacetic acid IUPAC Name: 2-(7-hydroxy-2-phenethylthieno[3,2-c]pyridin-6-yl)-2-isocyanatoacetic acid Traditional Name: 2-(7-hydroxy-2-phenethyl-thieno[3,2-c]pyridin-6-yl)-2-isocyanato-acetic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC3=CN=C(C(=C3S2)O)C(C(=O)O)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC3=CN=C(C(=C3S2)O)C(C(=O)O)N=C=O

InChI

InChI=1S/C18H14N2O4S/c21-10-20-15(18(23)24)14-16(22)17-12(9-19-14)8-13(25-17)7-6-11-4-2-1-3-5-11/h1-5,8-9,15,22H,6-7H2,(H,23,24)