ethyl 6-methyl-2-[2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-methyl-2-[[2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C30H30N6O3S2 MolecularWeight: 586.7276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CCC6=CC=CC=C6)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CCC6=CC=CC=C6)N=N3

InChI

InChI=1S/C30H30N6O3S2/c1-3-39-29(38)25-21-14-15-35(2)17-23(21)41-28(25)31-24(37)18-40-30-32-27-26(33-34-30)20-11-7-8-12-22(20)36(27)16-13-19-9-5-4-6-10-19/h4-12H,3,13-18H2,1-2H3,(H,31,37)