3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl 1H-pyrrole-2-carboxylate

Systemtic Name: 3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl 1H-pyrrole-2-carboxylate Openeye Name: 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl ester IUPAC Name: 3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid 3-(5-chloro-2-keto-1,3-benzothiazol-3-yl)propyl ester Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)OCCCN2C3=C(C=CC(=C3)Cl)SC2=O

Isomeric SMILES

C1=CNC(=C1)C(=O)OCCCN2C3=C(C=CC(=C3)Cl)SC2=O

InChI

InChI=1S/C15H13ClN2O3S/c16-10-4-5-13-12(9-10)18(15(20)22-13)7-2-8-21-14(19)11-3-1-6-17-11/h1,3-6,9,17H,2,7-8H2