methyl 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-cyclopropylquinazolin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C21H19N3O3S/c1-27-21(26)14-8-10-15(11-9-14)22-18(25)12-28-20-16-4-2-3-5-17(16)23-19(24-20)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,22,25)