methyl 2-[3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-2-yl]thio]acetic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCN3C(=O)C4=CC=CC=C4N=C3SCC(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-28-15-7-8-18-17(11-15)14(12-23-18)9-10-25-21(27)16-5-3-4-6-19(16)24-22(25)30-13-20(26)29-2/h3-8,11-12,23H,9-10,13H2,1-2H3