methyl 4-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H15N3O4S/c1-25-17(24)11-6-8-12(9-7-11)19-15(22)10-26-18-20-14-5-3-2-4-13(14)16(23)21-18/h2-9H,10H2,1H3,(H,19,22)(H,20,21,23)