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

Systemtic Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methoxyphenyl)thio]-1-oxobutyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-methoxyphenyl)thio]butanoylimino]-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CC(=O)OC

InChI

InChI=1S/C22H24N2O4S2/c1-15-6-11-18-19(13-15)30-22(24(18)14-21(26)28-3)23-20(25)5-4-12-29-17-9-7-16(27-2)8-10-17/h6-11,13H,4-5,12,14H2,1-3H3