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

Systemtic Name: ethyl 2-propanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-propanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxopropylimino)-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-propanoylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-propionylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-4-9-18-12-8-7-11(15(20)21-6-3)10-13(12)22-16(18)17-14(19)5-2/h1,7-8,10H,5-6,9H2,2-3H3