methyl 2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-oxidanylidenechromen-7-yl)oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-ketochromen-7-yl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H19NO6S/c1-26-21(25)19-14-4-2-3-5-16(14)29-20(19)22-17(23)11-27-13-8-6-12-7-9-18(24)28-15(12)10-13/h6-10H,2-5,11H2,1H3,(H,22,23)