methyl 1-[3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-[3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl]pyrrole-2-carboxylate Openeye Name: methyl 1-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl]pyrrole-2-carboxylate CAS Name: 1-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl]pyrrole-2-carboxylate Traditional Name: 1-[3-(5-chloro-2-keto-1,3-benzothiazol-3-yl)propyl]pyrrole-2-carboxylic acid methyl ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN1CCCN2C3=C(C=CC(=C3)Cl)SC2=O

Isomeric SMILES

COC(=O)C1=CC=CN1CCCN2C3=C(C=CC(=C3)Cl)SC2=O

InChI

InChI=1S/C16H15ClN2O3S/c1-22-15(20)12-4-2-7-18(12)8-3-9-19-13-10-11(17)5-6-14(13)23-16(19)21/h2,4-7,10H,3,8-9H2,1H3