4-(1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(1,3-benzothiazol-2-yl)-2-(tert-butoxycarbonylamino)-4-oxo-butanoic acid CAS Name: 4-(1,3-benzothiazol-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-(tert-butoxycarbonylamino)-4-keto-butyric acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)C1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)C1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-16(2,3)23-15(22)18-10(14(20)21)8-11(19)13-17-9-6-4-5-7-12(9)24-13/h4-7,10H,8H2,1-3H3,(H,18,22)(H,20,21)