2-dimethylaminoethyl 6-methyl-8-(3-nitrophenyl)-1,1-bis(oxidanylidene)-3,4,5,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine-7-carboxylate

Systemtic Name: 2-dimethylaminoethyl 6-methyl-8-(3-nitrophenyl)-1,1-bis(oxidanylidene)-3,4,5,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine-7-carboxylate Openeye Name: 2-dimethylaminoethyl 6-methyl-8-(3-nitrophenyl)-1,1-dioxo-3,4,5,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine-7-carboxylate CAS Name: 6-methyl-8-(3-nitrophenyl)-1,1-dioxo-3,4,5,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine-7-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 6-methyl-8-(3-nitrophenyl)-1,1-dioxo-3,4,5,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine-7-carboxylate Traditional Name: 1,1-diketo-6-methyl-8-(3-nitrophenyl)-3,4,5,8-tetrahydro-2H-thiopyrano[3,2-b]pyridine-7-carboxylic acid 2-dimethylaminoethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCS2(=O)=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(C)C

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCS2(=O)=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(C)C

InChI

InChI=1S/C20H25N3O6S/c1-13-17(20(24)29-10-9-22(2)3)18(14-6-4-7-15(12-14)23(25)26)19-16(21-13)8-5-11-30(19,27)28/h4,6-7,12,18,21H,5,8-11H2,1-3H3