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

Systemtic Name: methyl 2-pentanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-pentanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxopentylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-pentanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-valerylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-4-6-7-15(20)18-17-19(10-5-2)13-9-8-12(16(21)22-3)11-14(13)23-17/h2,8-9,11H,4,6-7,10H2,1,3H3