ethyl 2-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-benzyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[[5-(phenylmethyl)-[1,2,4]triazino[5,6-b]indol-3-yl]thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(5-benzyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H27N5O3S2 MolecularWeight: 557.68638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=CC=C6)N=N3

InChI

InChI=1S/C29H27N5O3S2/c1-2-37-28(36)24-20-13-7-9-15-22(20)39-27(24)30-23(35)17-38-29-31-26-25(32-33-29)19-12-6-8-14-21(19)34(26)16-18-10-4-3-5-11-18/h3-6,8,10-12,14H,2,7,9,13,15-17H2,1H3,(H,30,35)