[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-yl)acetic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21N3O4S/c25-19(22-10-11-29-14-16-6-2-1-3-7-16)13-28-20(26)12-24-15-23-18-9-5-4-8-17(18)21(24)27/h1-9,15H,10-14H2,(H,22,25)