ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazole-6-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H21N3O3S2/c1-3-23-8-7-13-16(10-23)28-19(17(13)20(25)26-4-2)22-18(24)12-5-6-14-15(9-12)27-11-21-14/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,22,24)