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

Systemtic Name: methyl 3-(2-pentanoylimino-6-propan-2-yl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-isopropyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[2-(1-oxopentylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-pentanoylimino-6-propan-2-yl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-isopropyl-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C19H26N2O3S MolecularWeight: 362.48634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S/c1-5-6-7-17(22)20-19-21(11-10-18(23)24-4)15-9-8-14(13(2)3)12-16(15)25-19/h8-9,12-13H,5-7,10-11H2,1-4H3