methyl 3-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(1,3-diketo-5-methyl-isoindolin-2-yl)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

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