1,3-benzothiazol-2-ylmethyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15ClN2O3S2 MolecularWeight: 406.9063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O3S2/c19-12-5-7-13(8-6-12)20-16(22)10-25-11-18(23)24-9-17-21-14-3-1-2-4-15(14)26-17/h1-8H,9-11H2,(H,20,22)