diethyl 5-azanyl-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-quinazolinylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-(quinazolin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(quinazolin-4-ylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=CC=CC=C32)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=CC=CC=C32)C(=O)OCC)N

InChI

InChI=1S/C19H19N3O4S2/c1-3-25-18(23)14-12(15(28-16(14)20)19(24)26-4-2)9-27-17-11-7-5-6-8-13(11)21-10-22-17/h5-8,10H,3-4,9,20H2,1-2H3