S-[[2-methoxy-4-[2-(pyrrolidin-1-ylcarbonylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[2-methoxy-4-[2-(pyrrolidin-1-ylcarbonylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[2-methoxy-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[2-methoxy-4-[[2-[[oxo(1-pyrrolidinyl)methyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[2-methoxy-4-[2-(pyrrolidine-1-carbonylamino)pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[2-methoxy-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C26H27N5O5S MolecularWeight: 521.58808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OC2=CC(=NC=C2)NC(=O)N3CCCC3)NC(=O)NSC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)OC2=CC(=NC=C2)NC(=O)N3CCCC3)NC(=O)NSC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O5S/c1-35-22-16-19(36-20-11-12-27-23(17-20)29-26(34)31-13-5-6-14-31)9-10-21(22)28-25(33)30-37-24(32)15-18-7-3-2-4-8-18/h2-4,7-12,16-17H,5-6,13-15H2,1H3,(H,27,29,34)(H2,28,30,33)