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

Systemtic Name: ethyl 4-[2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

InChI

InChI=1S/C22H20N4O4S/c1-3-30-21(29)13-8-10-14(11-9-13)23-17(27)12-31-22-25-18-15-6-4-5-7-16(15)24-19(18)20(28)26(22)2/h4-11,24H,3,12H2,1-2H3,(H,23,27)