S-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl] 4-nitrobenzenecarbothioate Openeye Name: S-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl] ester IUPAC Name: S-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[2-(2-keto-1,3-benzothiazol-3-yl)ethyl] ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCSC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCSC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c19-15(11-5-7-12(8-6-11)18(21)22)23-10-9-17-13-3-1-2-4-14(13)24-16(17)20/h1-8H,9-10H2