ethyl (6R)-3-(1,2,3-benzothiadiazol-6-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl (6R)-3-(1,2,3-benzothiadiazol-6-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl (6R)-3-(1,2,3-benzothiadiazole-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (6R)-3-[[1,2,3-benzothiadiazol-6-yl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-(1,2,3-benzothiadiazole-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (6R)-3-(1,2,3-benzothiadiazole-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CC(CC2)C)NC(=O)C3=CC4=C(C=C3)N=NS4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C[C@@H](CC2)C)NC(=O)C3=CC4=C(C=C3)N=NS4

InChI

InChI=1S/C19H19N3O3S2/c1-3-25-19(24)17-16(12-6-4-10(2)8-14(12)26-17)20-18(23)11-5-7-13-15(9-11)27-22-21-13/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,20,23)/t10-/m1/s1