ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-[[4-(methylthio)-2-phthalimido-butanoyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H22N2O5S2/c1-4-28-21(27)17-12(2)11-16(30-17)22-18(24)15(9-10-29-3)23-19(25)13-7-5-6-8-14(13)20(23)26/h5-8,11,15H,4,9-10H2,1-3H3,(H,22,24)