1,3-benzothiazol-2-ylmethyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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