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

Systemtic Name: ethyl 5-(1,3-benzothiazol-2-ylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(1,3-benzothiazole-2-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1,3-benzothiazol-2-yl(oxo)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzothiazole-2-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazole-2-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=NC3=CC=CC=C3S2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NC3=CC=CC=C3S2)C#N)C

InChI

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