ethyl 4,5-dimethyl-2-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-isopropylquinazolin-4-yl)sulfanylacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(2-propan-2-yl-4-quinazolinyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(2-isopropylquinazolin-4-yl)thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C22H25N3O3S2/c1-6-28-22(27)18-13(4)14(5)30-21(18)24-17(26)11-29-20-15-9-7-8-10-16(15)23-19(25-20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,24,26)