S-(1,3-benzothiazol-2-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3-(1,3-dioxoisoindolin-2-yl)propanethioate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3-(1,3-dioxoisoindol-2-yl)propanethioate Traditional Name: 3-phthalimidopropanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H12N2O3S2/c21-15(25-18-19-13-7-3-4-8-14(13)24-18)9-10-20-16(22)11-5-1-2-6-12(11)17(20)23/h1-8H,9-10H2