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

Systemtic Name: 2-dimethylaminoethyl 5-methyl-7-(3-nitrophenyl)-1,1-bis(oxidanylidene)-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carboxylate Openeye Name: 2-dimethylaminoethyl 5-methyl-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carboxylate CAS Name: 5-methyl-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-methyl-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carboxylate Traditional Name: 1,1-diketo-5-methyl-7-(3-nitrophenyl)-2,3,4,7-tetrahydrothieno[3,2-b]pyridine-6-carboxylic acid 2-dimethylaminoethyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCS2(=O)=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(C)C

Isomeric SMILES

CC1=C(C(C2=C(N1)CCS2(=O)=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(C)C

InChI

InChI=1S/C19H23N3O6S/c1-12-16(19(23)28-9-8-21(2)3)17(13-5-4-6-14(11-13)22(24)25)18-15(20-12)7-10-29(18,26)27/h4-6,11,17,20H,7-10H2,1-3H3