(N,N'-dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: (N,N'-dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoate Openeye Name: (N,N'-dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetate CAS Name: (2Z)-2-methoxyimino-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]acetic acid [(cyclohexylamino)-cyclohexyliminomethyl] ester IUPAC Name: (N,N'-dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate Traditional Name: (2Z)-2-methyloximino-2-[2-(tritylamino)thiazol-4-yl]acetic acid (N,N'-dicyclohexylamidino) ester Formula: C38H43N5O3S MolecularWeight: 649.84472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(=NC5CCCCC5)NC6CCCCC6

Isomeric SMILES

CO/N=C(/C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\C(=O)OC(=NC5CCCCC5)NC6CCCCC6

InChI

InChI=1S/C38H43N5O3S/c1-45-43-34(35(44)46-36(39-31-23-13-5-14-24-31)40-32-25-15-6-16-26-32)33-27-47-37(41-33)42-38(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h2-4,7-12,17-22,27,31-32H,5-6,13-16,23-26H2,1H3,(H,39,40)(H,41,42)/b43-34-