methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[4-[(4-methoxyphenyl)thio]-1-oxobutyl]imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methoxyphenyl)sulfanylbutanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-[(4-methoxyphenyl)thio]butanoylimino]-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)OC)S2)CC(=O)OC)C

InChI

InChI=1S/C23H26N2O4S2/c1-15-12-16(2)22-19(13-15)25(14-21(27)29-4)23(31-22)24-20(26)6-5-11-30-18-9-7-17(28-3)8-10-18/h7-10,12-13H,5-6,11,14H2,1-4H3