ethyl 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid ethyl ester Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC2=C1N=C(S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCC2=C1N=C(S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H16ClNO2S/c1-2-20-16(19)12-4-3-5-13-14(12)18-15(21-13)10-6-8-11(17)9-7-10/h6-9,12H,2-5H2,1H3