ethyl (7S)-5-azanyl-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate

Systemtic Name: ethyl (7S)-5-azanyl-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate Openeye Name: ethyl (7S)-5-amino-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate CAS Name: (7S)-5-amino-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (7S)-5-amino-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylate Traditional Name: (7S)-5-amino-6-cyano-2-methyl-7-(4-nitrophenyl)-7H-thieno[3,2-b]pyran-3-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1OC(=C([C@@H]2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)C

InChI

InChI=1S/C18H15N3O5S/c1-3-25-18(22)13-9(2)27-16-14(12(8-19)17(20)26-15(13)16)10-4-6-11(7-5-10)21(23)24/h4-7,14H,3,20H2,1-2H3/t14-/m0/s1