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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12ClNO2S2 MolecularWeight: 349.85498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNO2S2/c17-11-5-7-12(8-6-11)21-10-16(19)20-9-15-18-13-3-1-2-4-14(13)22-15/h1-8H,9-10H2