4-chloranyl-7-methoxy-2-pentan-3-yl-1,3-benzothiazole-6-carboxylate

Systemtic Name: 4-chloranyl-7-methoxy-2-pentan-3-yl-1,3-benzothiazole-6-carboxylate Openeye Name: 4-chloro-2-(1-ethylpropyl)-7-methoxy-1,3-benzothiazole-6-carboxylate CAS Name: 4-chloro-7-methoxy-2-pentan-3-yl-1,3-benzothiazole-6-carboxylate IUPAC Name: 4-chloro-7-methoxy-2-pentan-3-yl-1,3-benzothiazole-6-carboxylate Traditional Name: 4-chloro-2-(1-ethylpropyl)-7-methoxy-1,3-benzothiazole-6-carboxylate Formula: C14H15ClNO3S- MolecularWeight: 312.7918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=C(C=C(C(=C2S1)OC)C(=O)[O-])Cl

Isomeric SMILES

CCC(CC)C1=NC2=C(C=C(C(=C2S1)OC)C(=O)[O-])Cl

InChI

InChI=1S/C14H16ClNO3S/c1-4-7(5-2)13-16-10-9(15)6-8(14(17)18)11(19-3)12(10)20-13/h6-7H,4-5H2,1-3H3,(H,17,18)/p-1