1,3-benzothiazol-2-ylmethyl 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C13H9ClN2O2S MolecularWeight: 292.74076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CN3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC(=CN3)Cl

InChI

InChI=1S/C13H9ClN2O2S/c14-8-5-10(15-6-8)13(17)18-7-12-16-9-3-1-2-4-11(9)19-12/h1-6,15H,7H2