ethyl 5-azanyl-2-methyl-7-nitro-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-2-methyl-7-nitro-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Openeye Name: ethyl 5-amino-2-methyl-7-nitro-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate CAS Name: 5-amino-2-methyl-7-nitro-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-2-methyl-7-nitro-4-sulfanylidene-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylate Traditional Name: 5-amino-2-methyl-7-nitro-4-thioxo-9bH-pyrano[4,3-a]pyrrolizine-1-carboxylic acid ethyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=S)C2=C(N3C(=CC=C3[N+](=O)[O-])C21)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=S)C2=C(N3C(=CC=C3[N+](=O)[O-])C21)N)C

InChI

InChI=1S/C14H13N3O5S/c1-3-21-13(18)9-6(2)22-14(23)11-10(9)7-4-5-8(17(19)20)16(7)12(11)15/h4-5,10H,3,15H2,1-2H3