methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-27-18(25)12-23-19(26)15-9-5-6-10-16(15)22-20(23)28-13-17(24)21-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,21,24)