tert-butyl 2-azanyl-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-methylsulfanyl-pyridine-3-carboxylate

Systemtic Name: tert-butyl 2-azanyl-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-methylsulfanyl-pyridine-3-carboxylate Openeye Name: tert-butyl 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-methylsulfanyl-pyridine-3-carboxylate CAS Name: 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-(methylthio)-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-6-[2-(cyclopropylmethoxy)-6-[(4-methoxyphenyl)methoxy]phenyl]-4-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-amino-6-[2-(cyclopropylmethoxy)-6-p-anisyloxy-phenyl]-4-(methylthio)nicotinic acid tert-butyl ester Formula: C29H34N2O5S MolecularWeight: 522.65566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(C=C1SC)C2=C(C=CC=C2OCC3CC3)OCC4=CC=C(C=C4)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(C=C1SC)C2=C(C=CC=C2OCC3CC3)OCC4=CC=C(C=C4)OC)N

InChI

InChI=1S/C29H34N2O5S/c1-29(2,3)36-28(32)26-24(37-5)15-21(31-27(26)30)25-22(34-16-18-9-10-18)7-6-8-23(25)35-17-19-11-13-20(33-4)14-12-19/h6-8,11-15,18H,9-10,16-17H2,1-5H3,(H2,30,31)