methyl 2-cyano-2-[3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylquinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[(1-cyclopropyl-5-tetrazolyl)thio]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(1-cyclopropyltetrazol-5-yl)sulfanylquinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[(1-cyclopropyltetrazol-5-yl)thio]quinoxalin-2-yl]acetic acid methyl ester Formula: C16H13N7O2S MolecularWeight: 367.38512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NN=NN3C4CC4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1SC3=NN=NN3C4CC4

InChI

InChI=1S/C16H13N7O2S/c1-25-15(24)10(8-17)13-14(19-12-5-3-2-4-11(12)18-13)26-16-20-21-22-23(16)9-6-7-9/h2-5,9-10H,6-7H2,1H3