dimethyl 3-methyl-5-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(quinazolin-4-ylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H17N3O5S2/c1-10-14(18(24)26-2)17(29-15(10)19(25)27-3)22-13(23)8-28-16-11-6-4-5-7-12(11)20-9-21-16/h4-7,9H,8H2,1-3H3,(H,22,23)