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

Systemtic Name: ethyl 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-5-[(2-phthalimidoacetyl)amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)SC#N)C

InChI

InChI=1S/C19H15N3O5S2/c1-3-27-19(26)15-10(2)14(28-9-20)16(29-15)21-13(23)8-22-17(24)11-6-4-5-7-12(11)18(22)25/h4-7H,3,8H2,1-2H3,(H,21,23)