methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-chlorophenyl)thio]-1-oxobutyl]imino-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-chlorophenyl)sulfanylbutanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-chlorophenyl)thio]butanoylimino]-6-methoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21ClN2O4S2 MolecularWeight: 464.98544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)Cl)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)Cl)S2)CC(=O)OC

InChI

InChI=1S/C21H21ClN2O4S2/c1-27-15-7-10-17-18(12-15)30-21(24(17)13-20(26)28-2)23-19(25)4-3-11-29-16-8-5-14(22)6-9-16/h5-10,12H,3-4,11,13H2,1-2H3