ethyl 2-[2-(2-tert-butylquinazolin-4-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(2-tert-butylquinazolin-4-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(2-tert-butylquinazolin-4-yl)sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(2-tert-butyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-tert-butylquinazolin-4-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(2-tert-butylquinazolin-4-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)(C)C)C

InChI

InChI=1S/C21H24N4O3S2/c1-6-28-18(27)16-12(2)22-20(30-16)24-15(26)11-29-17-13-9-7-8-10-14(13)23-19(25-17)21(3,4)5/h7-10H,6,11H2,1-5H3,(H,22,24,26)