1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=CS2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=CS2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5S/c24-15(19-6-3-13-29-19)7-8-20(25)22-9-11-23(12-10-22)21(26)18-14-27-16-4-1-2-5-17(16)28-18/h1-6,13,18H,7-12,14H2/t18-/m1/s1