2-acetamido-2-[4-(1,3-dithian-2-ylidene)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethanoic acid

Systemtic Name: 2-acetamido-2-[4-(1,3-dithian-2-ylidene)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]ethanoic acid Openeye Name: 2-acetamido-2-[2-(tert-butoxycarbonylamino)-4-(1,3-dithian-2-ylidene)cyclopentyl]acetic acid CAS Name: 2-acetamido-2-[4-(1,3-dithian-2-ylidene)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopentyl]acetic acid IUPAC Name: 2-acetamido-2-[4-(1,3-dithian-2-ylidene)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid Traditional Name: 2-acetamido-2-[2-(tert-butoxycarbonylamino)-4-(1,3-dithian-2-ylidene)cyclopentyl]acetic acid Formula: C18H28N2O5S2 MolecularWeight: 416.55532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1CC(=C2SCCCS2)CC1NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)NC(C1CC(=C2SCCCS2)CC1NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H28N2O5S2/c1-10(21)19-14(15(22)23)12-8-11(16-26-6-5-7-27-16)9-13(12)20-17(24)25-18(2,3)4/h12-14H,5-9H2,1-4H3,(H,19,21)(H,20,24)(H,22,23)