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

Systemtic Name: ethyl 4-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-cyclopropylquinazolin-4-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-2-28-22(27)15-9-11-16(12-10-15)23-19(26)13-29-21-17-5-3-4-6-18(17)24-20(25-21)14-7-8-14/h3-6,9-12,14H,2,7-8,13H2,1H3,(H,23,26)