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

Systemtic Name: methyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[1-oxo-4-(phenylthio)butyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5,7-dimethyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5,7-dimethyl-2-[4-(phenylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S2/c1-15-12-16(2)21-18(13-15)24(14-20(26)27-3)22(29-21)23-19(25)10-7-11-28-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3