ethyl 2-[2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[3-(4-nitrophenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[3-(4-nitrophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-keto-3-(4-nitrophenyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H25N5O6S2 MolecularWeight: 603.6687

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-])NC6=CC=CC=C64

InChI

InChI=1S/C29H25N5O6S2/c1-2-40-28(37)23-19-8-4-6-10-21(19)42-26(23)31-22(35)15-41-29-32-24-18-7-3-5-9-20(18)30-25(24)27(36)33(29)16-11-13-17(14-12-16)34(38)39/h3,5,7,9,11-14,30H,2,4,6,8,10,15H2,1H3,(H,31,35)