(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C16H14ClN3O4S/c1-2-3-6-20-14(21)10-5-4-9(7-11(10)15(20)22)16(23)24-8-12-13(17)25-19-18-12/h4-5,7H,2-3,6,8H2,1H3