ethyl 2-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C28H25N5O3S2 MolecularWeight: 543.6598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3

InChI

InChI=1S/C28H25N5O3S2/c1-2-36-27(35)23-19-12-8-14-21(19)38-26(23)29-22(34)16-37-28-30-25-24(31-32-28)18-11-6-7-13-20(18)33(25)15-17-9-4-3-5-10-17/h3-7,9-11,13H,2,8,12,14-16H2,1H3,(H,29,34)