ethyl 5-[(3-chloranylquinoxalin-2-yl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(3-chloranylquinoxalin-2-yl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(3-chloro-2-quinoxalinyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(3-chloroquinoxalin-2-yl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H13ClN4O2S MolecularWeight: 372.82872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC2=NC3=CC=CC=C3N=C2Cl)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC2=NC3=CC=CC=C3N=C2Cl)C#N)C

InChI

InChI=1S/C17H13ClN4O2S/c1-3-24-17(23)13-9(2)10(8-19)16(25-13)22-15-14(18)20-11-6-4-5-7-12(11)21-15/h4-7H,3H2,1-2H3,(H,21,22)