2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 6-chloranylpyridine-3-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 6-chloranylpyridine-3-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C15H11ClN2O5S MolecularWeight: 366.77624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCOC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C15H11ClN2O5S/c16-13-6-5-10(9-17-13)15(20)23-8-7-18-14(19)11-3-1-2-4-12(11)24(18,21)22/h1-6,9H,7-8H2