3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methylsulfanyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 3-[[2-(tert-butoxycarbonylamino)-4-pyridyl]methylsulfanyl]thiophene-2-carboxylic acid CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]methylthio]-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]methylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-4-pyridyl]methylthio]-2-thenoic acid Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)CSC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C16H18N2O4S2/c1-16(2,3)22-15(21)18-12-8-10(4-6-17-12)9-24-11-5-7-23-13(11)14(19)20/h4-8H,9H2,1-3H3,(H,19,20)(H,17,18,21)