ethyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxobutylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-butyrylimino-3-propargyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CC#C

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)C(=O)OCC)CC#C

InChI

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