ethyl 3-(1,3-benzothiazol-6-ylcarbonylamino)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-6-ylcarbonylamino)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazole-6-carbonylamino)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4,6-dimethyl-2-thieno[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazole-6-carbonylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(1,3-benzothiazole-6-carbonylamino)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C)C)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H17N3O3S2/c1-4-26-20(25)17-16(15-10(2)7-11(3)22-19(15)28-17)23-18(24)12-5-6-13-14(8-12)27-9-21-13/h5-9H,4H2,1-3H3,(H,23,24)