methyl 4-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]-4-[3-(prop-2-enoxycarbonylamino)phenyl]butanoate

Systemtic Name: methyl 4-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]-4-[3-(prop-2-enoxycarbonylamino)phenyl]butanoate Openeye Name: methyl 4-[3-(allyloxycarbonylamino)phenyl]-4-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]amino]butanoate CAS Name: 4-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(4-morpholinyl)-2-pyridinyl]amino]-4-[3-[[oxo(prop-2-enoxy)methyl]amino]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]amino]-4-[3-(prop-2-enoxycarbonylamino)phenyl]butanoate Traditional Name: 4-[3-(allyloxycarbonylamino)phenyl]-4-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]amino]butyric acid methyl ester Formula: C29H36N6O5S2 MolecularWeight: 612.76334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NC(CCC(=O)OC)C4=CC(=CC=C4)NC(=O)OCC=C

Isomeric SMILES

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NC(CCC(=O)OC)C4=CC(=CC=C4)NC(=O)OCC=C

InChI

InChI=1S/C29H36N6O5S2/c1-4-13-40-28(37)31-21-8-6-7-20(16-21)24(9-10-27(36)38-3)32-25-18-23(35-11-14-39-15-12-35)17-22(30-25)19-41-29-34-33-26(5-2)42-29/h4,6-8,16-18,24H,1,5,9-15,19H2,2-3H3,(H,30,32)(H,31,37)