ethyl 2-pentanoylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-pentanoylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-allyl-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 2-(1-oxopentylimino)-3-prop-2-enyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-pentanoylimino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-allyl-2-valerylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-4-7-8-16(21)19-18-20(11-5-2)14-10-9-13(12-15(14)24-18)17(22)23-6-3/h5,9-10,12H,2,4,6-8,11H2,1,3H3