2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[[4-(chloromethyl)thiazol-2-yl]methyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[[4-(chloromethyl)-2-thiazolyl]methyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[[4-(chloromethyl)thiazol-2-yl]methyl]-4H-isoquinoline-1,3-quinone Formula: C14H11ClN2O2S MolecularWeight: 306.76734

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=NC(=CS3)CCl

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC3=NC(=CS3)CCl

InChI

InChI=1S/C14H11ClN2O2S/c15-6-10-8-20-12(16-10)7-17-13(18)5-9-3-1-2-4-11(9)14(17)19/h1-4,8H,5-7H2