ethyl 4-[4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(5-chloranyl-3-oxidanylidene-1,2-thiazol-2-yl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(5-chloro-3-oxo-isothiazol-2-yl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-chloro-3-oxo-2-isothiazolyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-chloro-3-oxo-1,2-thiazol-2-yl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-chloro-3-keto-4-isothiazolin-2-yl)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C(=O)C=C(S3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)N3C(=O)C=C(S3)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-2-23-16(22)19-9-7-18(8-10-19)12-3-5-13(6-4-12)20-15(21)11-14(17)24-20/h3-6,11H,2,7-10H2,1H3