5-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid Openeye Name: 3-(tert-butoxycarbonylamino)-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid CAS Name: 5-(4-ethoxyphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid Traditional Name: 3-(tert-butoxycarbonylamino)-5-p-phenetyl-2-thenoic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H21NO5S/c1-5-23-12-8-6-11(7-9-12)14-10-13(15(25-14)16(20)21)19-17(22)24-18(2,3)4/h6-10H,5H2,1-4H3,(H,19,22)(H,20,21)