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

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-allyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-oxo-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-allyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)NC4=CC=CC=C43

InChI

InChI=1S/C23H20N4O4S/c1-3-12-27-21(29)20-19(16-6-4-5-7-17(16)25-20)26-23(27)32-13-18(28)24-15-10-8-14(9-11-15)22(30)31-2/h3-11,25H,1,12-13H2,2H3,(H,24,28)