ethyl 2-[2-[[3-(4-methylphenyl)-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-methylphenyl)-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-[[4-oxo-3-(p-tolyl)-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[3-(4-methylphenyl)-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-methylphenyl)-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-(p-tolyl)-5H-pyrimid[5,4-b]indol-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H28N4O4S2 MolecularWeight: 572.69772

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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)C)NC6=CC=CC=C64

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)C)NC6=CC=CC=C64

InChI

InChI=1S/C30H28N4O4S2/c1-3-38-29(37)24-20-9-5-7-11-22(20)40-27(24)32-23(35)16-39-30-33-25-19-8-4-6-10-21(19)31-26(25)28(36)34(30)18-14-12-17(2)13-15-18/h4,6,8,10,12-15,31H,3,5,7,9,11,16H2,1-2H3,(H,32,35)