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

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H20N2O3S2/c1-3-25-20(24)17-13-6-4-11(2)8-15(13)27-19(17)22-18(23)12-5-7-14-16(9-12)26-10-21-14/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,22,23)