ethyl 4-chloranyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate

Systemtic Name: ethyl 4-chloranyl-2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate Openeye Name: ethyl 4-chloro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate CAS Name: 4-chloro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate Traditional Name: 4-chloro-2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylic acid ethyl ester Formula: C10H14ClNO3S MolecularWeight: 263.74106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2C(CCCC2Cl)SC1=O

Isomeric SMILES

CCOC(=O)N1C2C(CCCC2Cl)SC1=O

InChI

InChI=1S/C10H14ClNO3S/c1-2-15-9(13)12-8-6(11)4-3-5-7(8)16-10(12)14/h6-8H,2-5H2,1H3