2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-(2-keto-1,3-benzoxazol-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C4=CC=CC=C4OC3=O)C(=O)O

InChI

InChI=1S/C18H16N2O5S/c21-14(9-20-11-6-2-3-7-12(11)25-18(20)24)19-16-15(17(22)23)10-5-1-4-8-13(10)26-16/h2-3,6-7H,1,4-5,8-9H2,(H,19,21)(H,22,23)