methyl 4-methyl-3-(2-quinazolin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-quinazolin-4-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(quinazolin-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C19H17N3O3S/c1-12-7-8-13(19(24)25-2)9-16(12)22-17(23)10-26-18-14-5-3-4-6-15(14)20-11-21-18/h3-9,11H,10H2,1-2H3,(H,22,23)