methyl 2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]thiazole-5-carboxylate CAS Name: 2-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]thiazole-5-carboxylic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H15N3O4S/c1-10-11-5-3-4-6-12(11)15(22)20(10)8-7-14(21)19-17-18-9-13(25-17)16(23)24-2/h3-6,9H,1,7-8H2,2H3,(H,18,19,21)