ethyl 3-azanyl-7-cyano-6-methyl-2,1-benzothiazole-5-carboxylate

Systemtic Name: ethyl 3-azanyl-7-cyano-6-methyl-2,1-benzothiazole-5-carboxylate Openeye Name: ethyl 3-amino-7-cyano-6-methyl-2,1-benzothiazole-5-carboxylate CAS Name: 3-amino-7-cyano-6-methyl-2,1-benzothiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-7-cyano-6-methyl-2,1-benzothiazole-5-carboxylate Traditional Name: 3-amino-7-cyano-6-methyl-2,1-benzothiazole-5-carboxylic acid ethyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(SN=C2C(=C1C)C#N)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(SN=C2C(=C1C)C#N)N

InChI

InChI=1S/C12H11N3O2S/c1-3-17-12(16)7-4-8-10(15-18-11(8)14)9(5-13)6(7)2/h4H,3,14H2,1-2H3