methyl 4-[(2-quinazolin-4-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-quinazolin-4-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(quinazolin-4-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C19H17N3O3S/c1-25-19(24)14-8-6-13(7-9-14)10-20-17(23)11-26-18-15-4-2-3-5-16(15)21-12-22-18/h2-9,12H,10-11H2,1H3,(H,20,23)