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

Systemtic Name: 4-chloranyl-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-cyclopropyl-3-nitro-N-[2-oxo-2-[4-(p-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]benzamide CAS Name: 4-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-cyclopropyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-cyclopropyl-N-[2-keto-2-[4-(p-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-3-nitro-benzamide Formula: C26H24ClN3O4S MolecularWeight: 510.00446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CN(C4CC4)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])SC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)CN(C4CC4)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])SC=C3

InChI

InChI=1S/C26H24ClN3O4S/c1-16-2-4-17(5-3-16)25-20-11-13-35-23(20)10-12-28(25)24(31)15-29(19-7-8-19)26(32)18-6-9-21(27)22(14-18)30(33)34/h2-6,9,11,13-14,19,25H,7-8,10,12,15H2,1H3