methyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(S3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(S3)C(=O)OC

InChI

InChI=1S/C19H18N2O5S/c1-3-4-9-21-17(23)12-6-5-11(10-13(12)18(21)24)16(22)20-15-8-7-14(27-15)19(25)26-2/h5-8,10H,3-4,9H2,1-2H3,(H,20,22)