S-(1,3-benzothiazol-2-yl) 2-[[2-(3-nitrophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]ethanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-[[2-(3-nitrophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-[[2-(3-nitrophenyl)-4-oxo-thiazolidin-3-yl]amino]ethanethioate CAS Name: 2-[[2-(3-nitrophenyl)-4-oxo-3-thiazolidinyl]amino]ethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-[[2-(3-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]ethanethioate Traditional Name: 2-[[4-keto-2-(3-nitrophenyl)thiazolidin-3-yl]amino]ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C18H14N4O4S3 MolecularWeight: 446.52316

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NCC(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NCC(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O4S3/c23-15-10-27-17(11-4-3-5-12(8-11)22(25)26)21(15)19-9-16(24)29-18-20-13-6-1-2-7-14(13)28-18/h1-8,17,19H,9-10H2