methyl 3-(6-ethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-ethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-ethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-ethyl-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(6-ethyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-ethyl-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-4-6-7-16(21)19-18-20(11-10-17(22)23-3)14-9-8-13(5-2)12-15(14)24-18/h8-9,12H,4-7,10-11H2,1-3H3