2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-methyl-2-nitro-phenoxy)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-(4-methyl-2-nitro-phenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-11-7-8-14(13(9-11)22(25)26)27-10-16(23)21-19-17(18(20)24)12-5-3-2-4-6-15(12)28-19/h7-9H,2-6,10H2,1H3,(H2,20,24)(H,21,23)