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

Systemtic Name: ethyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-6-9-23-19(25)14-8-7-13(11-15(14)20(23)26)18(24)22-16-10-12(3)17(29-16)21(27)28-5-2/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,24)