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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-1,3-thiazole-4-carboxylate Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butanoylamino]thiazole-4-carboxylate CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4-thiazolecarboxylate IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-phthalimidobutanoylamino)thiazole-4-carboxylate Formula: C16H12N3O5S- MolecularWeight: 358.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C16H13N3O5S/c20-12(18-16-17-11(8-25-16)15(23)24)6-3-7-19-13(21)9-4-1-2-5-10(9)14(19)22/h1-2,4-5,8H,3,6-7H2,(H,23,24)(H,17,18,20)/p-1