methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxy-2-oxo-ethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-(1-oxopentylimino)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxy-2-oxoethyl)-2-pentanoylimino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-valerylimino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c1-4-6-7-15(21)19-18-20(11-16(22)25-5-2)13-9-8-12(17(23)24-3)10-14(13)26-18/h8-10H,4-7,11H2,1-3H3