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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-5-26-20(25)17-11(2)12(3)28-19(17)23-16(24)10-27-18-14-8-6-7-9-15(14)21-13(4)22-18/h6-9H,5,10H2,1-4H3,(H,23,24)