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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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