4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(phenylcarbonylcarbamoylamino)thiophene-3-carboxylate

Systemtic Name: 4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-(phenylcarbonylcarbamoylamino)thiophene-3-carboxylate Openeye Name: 2-(benzoylcarbamoylamino)-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate CAS Name: 2-[[benzamido(oxo)methyl]amino]-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-3-thiophenecarboxylate IUPAC Name: 2-(benzoylcarbamoylamino)-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate Traditional Name: 2-(benzoylcarbamoylamino)-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-3-thenoate Formula: C21H15N2O6S- MolecularWeight: 423.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=CSC(=C3C(=O)[O-])NC(=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=CSC(=C3C(=O)[O-])NC(=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O6S/c24-18(12-6-2-1-3-7-12)22-21(27)23-19-17(20(25)26)13(11-30-19)16-10-28-14-8-4-5-9-15(14)29-16/h1-9,11,16H,10H2,(H,25,26)(H2,22,23,24,27)/p-1/t16-/m1/s1