N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide CAS Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-keto-ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide Formula: C27H28ClN3O5S MolecularWeight: 542.04632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCOC)CC(=O)N2CCC3=C(C2C4=CC=C(C=C4)Cl)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCOC)CC(=O)N2CCC3=C(C2C4=CC=C(C=C4)Cl)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C27H28ClN3O5S/c1-18-4-5-20(16-23(18)31(34)35)27(33)29(12-3-14-36-2)17-25(32)30-13-10-24-22(11-15-37-24)26(30)19-6-8-21(28)9-7-19/h4-9,11,15-16,26H,3,10,12-14,17H2,1-2H3