4-(3-oxidanylidene-[1,2]thiazolo[5,4-c]pyridin-2-yl)butyl 4-nitrobenzenesulfonate

Systemtic Name: 4-(3-oxidanylidene-[1,2]thiazolo[5,4-c]pyridin-2-yl)butyl 4-nitrobenzenesulfonate Openeye Name: 4-(3-oxoisothiazolo[5,4-c]pyridin-2-yl)butyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 4-(3-oxo-2-isothiazolo[5,4-c]pyridinyl)butyl ester IUPAC Name: 4-(3-oxo-[1,2]thiazolo[5,4-c]pyridin-2-yl)butyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 4-(3-ketoisothiazolo[5,4-c]pyridin-2-yl)butyl ester Formula: C16H15N3O6S2 MolecularWeight: 409.4368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCCCN2C(=O)C3=C(S2)C=NC=C3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCCCN2C(=O)C3=C(S2)C=NC=C3

InChI

InChI=1S/C16H15N3O6S2/c20-16-14-7-8-17-11-15(14)26-18(16)9-1-2-10-25-27(23,24)13-5-3-12(4-6-13)19(21)22/h3-8,11H,1-2,9-10H2