[(R)-(6-nitro-1,3-benzothiazol-2-yl)sulfanyl-phenyl-methyl] ethanoate

Systemtic Name: [(R)-(6-nitro-1,3-benzothiazol-2-yl)sulfanyl-phenyl-methyl] ethanoate Openeye Name: [(R)-(6-nitro-1,3-benzothiazol-2-yl)sulfanyl-phenyl-methyl] acetate CAS Name: acetic acid [(R)-[(6-nitro-1,3-benzothiazol-2-yl)thio]-phenylmethyl] ester IUPAC Name: [(R)-(6-nitro-1,3-benzothiazol-2-yl)sulfanyl-phenylmethyl] acetate Traditional Name: acetic acid [(R)-[(6-nitro-1,3-benzothiazol-2-yl)thio]-phenyl-methyl] ester Formula: C16H12N2O4S2 MolecularWeight: 360.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H](C1=CC=CC=C1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O4S2/c1-10(19)22-15(11-5-3-2-4-6-11)24-16-17-13-8-7-12(18(20)21)9-14(13)23-16/h2-9,15H,1H3/t15-/m1/s1