2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[oxo-[3-(2-oxo-1-benzopyran-3-yl)phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(2-ketochromen-3-yl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O)C(=O)N

InChI

InChI=1S/C25H20N2O4S/c26-22(28)21-17-9-2-4-11-20(17)32-24(21)27-23(29)16-8-5-7-14(12-16)18-13-15-6-1-3-10-19(15)31-25(18)30/h1,3,5-8,10,12-13H,2,4,9,11H2,(H2,26,28)(H,27,29)