methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]propionic acid methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H22N4O4S/c1-31-22(30)19(12-14-13-24-17-8-4-2-6-15(14)17)25-20(28)10-11-27-21(29)16-7-3-5-9-18(16)26-23(27)32/h2-9,13,19,24H,10-12H2,1H3,(H,25,28)(H,26,32)/t19-/m0/s1