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

Systemtic Name: methyl 3-(2-propanoylimino-6-propan-2-yl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(6-isopropyl-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[2-(1-oxopropylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(2-propanoylimino-6-propan-2-yl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-isopropyl-2-propionylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-5-15(20)18-17-19(9-8-16(21)22-4)13-7-6-12(11(2)3)10-14(13)23-17/h6-7,10-11H,5,8-9H2,1-4H3