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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(CCN2C(=O)CN(CCCOC)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])SC=C3

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(CCN2C(=O)CN(CCCOC)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])SC=C3

InChI

InChI=1S/C27H28ClN3O5S/c1-18-6-3-4-7-20(18)26-21-11-15-37-24(21)10-13-30(26)25(32)17-29(12-5-14-36-2)27(33)19-8-9-22(28)23(16-19)31(34)35/h3-4,6-9,11,15-16,26H,5,10,12-14,17H2,1-2H3