ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-(methylcarbamoyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(2-methyl-4-quinazolinyl)thio]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-(methylcarbamoyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-(methylcarbamoyl)-4-[[(2-methylquinazolin-4-yl)thio]methyl]thiophene-3-carboxylic acid ethyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S2/c1-4-26-19(25)14-12(15(17(24)21-3)28-16(14)20)9-27-18-11-7-5-6-8-13(11)22-10(2)23-18/h5-8H,4,9,20H2,1-3H3,(H,21,24)