ethyl 4-[2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-oxidanylidene-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-phenyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53

InChI

InChI=1S/C27H22N4O4S/c1-2-35-26(34)17-12-14-18(15-13-17)28-22(32)16-36-27-30-23-20-10-6-7-11-21(20)29-24(23)25(33)31(27)19-8-4-3-5-9-19/h3-15,29H,2,16H2,1H3,(H,28,32)