ethyl 2-azanyl-3-cyano-7-ethyl-thiopyrano[3,2-a]indolizin-9-ium-10-carboxylate

Systemtic Name: ethyl 2-azanyl-3-cyano-7-ethyl-thiopyrano[3,2-a]indolizin-9-ium-10-carboxylate Openeye Name: ethyl 2-amino-3-cyano-7-ethyl-thiopyrano[3,2-a]indolizin-9-ium-10-carboxylate CAS Name: 2-amino-3-cyano-7-ethyl-10-thiopyrano[3,2-a]indolizin-9-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-cyano-7-ethylthiopyrano[3,2-a]indolizin-9-ium-10-carboxylate Traditional Name: 2-amino-3-cyano-7-ethyl-thiopyran[3,2-a]indolizin-9-ium-10-carboxylic acid ethyl ester Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+]2=C(C=C1)C3=CC(=C(SC3=C2C(=O)OCC)N)C#N

Isomeric SMILES

CCC1=C[N+]2=C(C=C1)C3=CC(=C(SC3=C2C(=O)OCC)N)C#N

InChI

InChI=1S/C17H15N3O2S/c1-3-10-5-6-13-12-7-11(8-18)16(19)23-15(12)14(20(13)9-10)17(21)22-4-2/h5-7,9,19H,3-4H2,1-2H3/p+1