ethyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-valerylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C16H20N2O3S/c1-4-6-7-14(19)17-16-18(3)12-9-8-11(10-13(12)22-16)15(20)21-5-2/h8-10H,4-7H2,1-3H3