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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2-methyl-4-quinazolinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-methylquinazolin-4-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2-methylquinazolin-4-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C18H16N4O2S2/c1-3-24-18(23)15-13(12(8-19)16(20)26-15)9-25-17-11-6-4-5-7-14(11)21-10(2)22-17/h4-7H,3,9,20H2,1-2H3