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

Systemtic Name: methyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: methyl 2-(1,3-benzothiazole-6-carbonylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazole-6-carbonylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid methyl ester Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)N1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H14N4O3S2/c1-25-18(24)22-5-4-11-12(7-19)17(27-15(11)8-22)21-16(23)10-2-3-13-14(6-10)26-9-20-13/h2-3,6,9H,4-5,8H2,1H3,(H,21,23)