2-isothiocyanatoethyl 2-[4-(2-isothiocyanatoethoxycarbonyl)pyridin-2-yl]pyridine-4-carboxylate

Systemtic Name: 2-isothiocyanatoethyl 2-[4-(2-isothiocyanatoethoxycarbonyl)pyridin-2-yl]pyridine-4-carboxylate Openeye Name: 2-isothiocyanatoethyl 2-[4-(2-isothiocyanatoethoxycarbonyl)-2-pyridyl]pyridine-4-carboxylate CAS Name: 2-[4-[2-isothiocyanatoethoxy(oxo)methyl]-2-pyridinyl]-4-pyridinecarboxylic acid 2-isothiocyanatoethyl ester IUPAC Name: 2-isothiocyanatoethyl 2-[4-(2-isothiocyanatoethoxycarbonyl)pyridin-2-yl]pyridine-4-carboxylate Traditional Name: 2-[4-(2-isothiocyanatoethoxycarbonyl)-2-pyridyl]isonicotinic acid 2-isothiocyanatoethyl ester Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)OCCN=C=S)C2=NC=CC(=C2)C(=O)OCCN=C=S

Isomeric SMILES

C1=CN=C(C=C1C(=O)OCCN=C=S)C2=NC=CC(=C2)C(=O)OCCN=C=S

InChI

InChI=1S/C18H14N4O4S2/c23-17(25-7-5-19-11-27)13-1-3-21-15(9-13)16-10-14(2-4-22-16)18(24)26-8-6-20-12-28/h1-4,9-10H,5-8H2