5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[2-(tert-butoxycarbonylamino)ethylcarbamoyl]benzothiophene-2-carboxylic acid CAS Name: 5-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-oxomethyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[2-(tert-butoxycarbonylamino)ethylcarbamoyl]benzothiophene-2-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(C=C1)SC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C1=CC2=C(C=C1)SC(=C2)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-17(2,3)24-16(23)19-7-6-18-14(20)10-4-5-12-11(8-10)9-13(25-12)15(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)