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

Systemtic Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-[(4-methoxyphenyl)thio]propanoylimino]-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=C(C=C3)OC)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O4S2/c1-14-4-9-17-18(12-14)29-21(23(17)13-20(25)27-3)22-19(24)10-11-28-16-7-5-15(26-2)6-8-16/h4-9,12H,10-11,13H2,1-3H3