5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiophene-2-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]thiophene-2-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiophene-2-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-thiophenecarboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiophene-2-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]thiophene-2-carboxamide Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)NCC(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC=C(S3)C(=O)NC[C@H](C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H18N2O6S/c24-16(13-1-4-15(5-2-13)23(26)27)12-22-21(25)20-8-7-19(30-20)14-3-6-17-18(11-14)29-10-9-28-17/h1-8,11,16,24H,9-10,12H2,(H,22,25)/t16-/m1/s1