[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C19H18ClN3O4S MolecularWeight: 419.88192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C19H18ClN3O4S/c1-3-14(27-18(25)11-7-8-21-16(20)9-11)17(24)23-19-22-13-6-5-12(26-4-2)10-15(13)28-19/h5-10,14H,3-4H2,1-2H3,(H,22,23,24)