[5,5-bis(oxidanylidene)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl] pyridine-3-carboxylate

Systemtic Name: [5,5-bis(oxidanylidene)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl] pyridine-3-carboxylate Openeye Name: (5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl) pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl) ester IUPAC Name: (5,5-dioxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl) pyridine-3-carboxylate Traditional Name: nicotinic acid (5,5-diketo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazin-7-yl) ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2NS(=O)(=O)C3=C(N2C1)C=CC(=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC2NS(=O)(=O)C3=C(N2C1)C=CC(=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C16H15N3O4S/c20-16(11-3-1-7-17-10-11)23-12-5-6-13-14(9-12)24(21,22)18-15-4-2-8-19(13)15/h1,3,5-7,9-10,15,18H,2,4,8H2