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

Systemtic Name: ethyl 4-[2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[3-(1H-indol-3-yl)propanoylamino]-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C30H27N5O5S MolecularWeight: 569.63088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C30H27N5O5S/c1-2-40-29(39)19-11-14-21(15-12-19)32-27(37)18-41-30-33-25-10-6-4-8-23(25)28(38)35(30)34-26(36)16-13-20-17-31-24-9-5-3-7-22(20)24/h3-12,14-15,17,31H,2,13,16,18H2,1H3,(H,32,37)(H,34,36)