ethyl 6-methyl-2-[2-[(5-prop-2-enyl-[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-prop-2-enyl-[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 2-[[2-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-[(5-prop-2-enyl-[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-prop-2-enyl-[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: 2-[[2-[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C25H26N6O3S2 MolecularWeight: 522.64234

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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=C5N4CC=C)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC=C)N=N3

InChI

InChI=1S/C25H26N6O3S2/c1-4-11-31-17-9-7-6-8-15(17)21-22(31)27-25(29-28-21)35-14-19(32)26-23-20(24(33)34-5-2)16-10-12-30(3)13-18(16)36-23/h4,6-9H,1,5,10-14H2,2-3H3,(H,26,32)