ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[3-(1H-indol-3-yl)propanoylamino]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1NC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1NC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H22N4O4S/c1-2-31-21(29)14-32-23-25-19-10-6-4-8-17(19)22(30)27(23)26-20(28)12-11-15-13-24-18-9-5-3-7-16(15)18/h3-10,13,24H,2,11-12,14H2,1H3,(H,26,28)