methyl 2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-26-17(25)11-20-16(24)12-27-19-22-15-10-6-5-9-14(15)18(23-19)21-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,24)(H,21,22,23)