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

Systemtic Name: methyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-valerylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-4-5-6-13(18)16-15-17(2)11-8-7-10(14(19)20-3)9-12(11)21-15/h7-9H,4-6H2,1-3H3