1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCC3=C(C2)C=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-11-8-13(2-3-14(11)18(20)21)22-10-16(19)17-6-4-15-12(9-17)5-7-23-15/h2-3,5,7-8H,4,6,9-10H2,1H3