ethyl 5-(1,3-benzothiazol-6-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzothiazol-6-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzothiazole-6-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzothiazole-6-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazole-6-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)N=CS3)C#N)C

InChI

InChI=1S/C17H13N3O3S2/c1-3-23-17(22)14-9(2)11(7-18)16(25-14)20-15(21)10-4-5-12-13(6-10)24-8-19-12/h4-6,8H,3H2,1-2H3,(H,20,21)