dimethyl 5-azanyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(2-methyl-4-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(2-methylquinazolin-4-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H17N3O4S2/c1-9-20-12-7-5-4-6-10(12)16(21-9)26-8-11-13(17(22)24-2)15(19)27-14(11)18(23)25-3/h4-7H,8,19H2,1-3H3