N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-3-isoquinolin-7-yloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl)-3-isoquinolin-7-yloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(2-thienylmethyl)ethyl]-4,5-dihydroxy-3-(7-isoquinolyloxy)cyclohexene-1-carboxamide CAS Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-4,5-dihydroxy-3-(7-isoquinolinyloxy)-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl)-4,5-dihydroxy-3-isoquinolin-7-yloxycyclohexene-1-carboxamide Traditional Name: N-[2-amino-2-keto-1-(2-thenyl)ethyl]-4,5-dihydroxy-3-(7-isoquinolyloxy)cyclohexene-1-carboxamide Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)NC(CC2=CC=CS2)C(=O)N)OC3=CC4=C(C=C3)C=CN=C4)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)NC(CC2=CC=CS2)C(=O)N)OC3=CC4=C(C=C3)C=CN=C4)O)O

InChI

InChI=1S/C23H23N3O5S/c24-22(29)18(11-17-2-1-7-32-17)26-23(30)14-9-19(27)21(28)20(10-14)31-16-4-3-13-5-6-25-12-15(13)8-16/h1-8,10,12,18-21,27-28H,9,11H2,(H2,24,29)(H,26,30)