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

Systemtic Name: methyl 2-[6-ethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethyl-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)C)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=C(C=C3)C)S2)CC(=O)OC

InChI

InChI=1S/C23H26N2O3S2/c1-4-17-9-12-19-20(14-17)30-23(25(19)15-22(27)28-3)24-21(26)6-5-13-29-18-10-7-16(2)8-11-18/h7-12,14H,4-6,13,15H2,1-3H3