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

Systemtic Name: methyl 3-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]thiophene-2-carboxylate CAS Name: 3-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

InChI

InChI=1S/C18H14N2O5S/c1-3-7-20-16(22)11-5-4-10(9-12(11)17(20)23)15(21)19-13-6-8-26-14(13)18(24)25-2/h3-6,8-9H,1,7H2,2H3,(H,19,21)