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

Systemtic Name: methyl 5-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-4-5-8-22-18(24)13-7-6-12(10-14(13)19(22)25)17(23)21-15-9-11(2)16(28-15)20(26)27-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,23)