[1-[[2-cyano-5-(3,4,5-trimethoxyphenyl)sulfanyl-phenyl]amino]cyclohexyl] 2-azanylethanoate

Systemtic Name: [1-[[2-cyano-5-(3,4,5-trimethoxyphenyl)sulfanyl-phenyl]amino]cyclohexyl] 2-azanylethanoate Openeye Name: [1-[2-cyano-5-(3,4,5-trimethoxyphenyl)sulfanyl-anilino]cyclohexyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [1-[2-cyano-5-[(3,4,5-trimethoxyphenyl)thio]anilino]cyclohexyl] ester IUPAC Name: [1-[2-cyano-5-(3,4,5-trimethoxyphenyl)sulfanylanilino]cyclohexyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [1-[2-cyano-5-[(3,4,5-trimethoxyphenyl)thio]anilino]cyclohexyl] ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C#N)NC3(CCCCC3)OC(=O)CN

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)SC2=CC(=C(C=C2)C#N)NC3(CCCCC3)OC(=O)CN

InChI

InChI=1S/C24H29N3O5S/c1-29-20-12-18(13-21(30-2)23(20)31-3)33-17-8-7-16(14-25)19(11-17)27-24(32-22(28)15-26)9-5-4-6-10-24/h7-8,11-13,27H,4-6,9-10,15,26H2,1-3H3