(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C13H13ClN2O2S2 MolecularWeight: 328.83752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C13H13ClN2O2S2/c1-7-2-3-10-8(4-7)5-11(19-10)13(17)18-6-9-12(14)20-16-15-9/h5,7H,2-4,6H2,1H3