methyl 2-[2-(4-phenylsulfanylbutanoylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-phenylsulfanylbutanoylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-isopropyl-2-(4-phenylsulfanylbutanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-4-(phenylthio)butyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-phenylsulfanylbutanoylimino)-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-isopropyl-2-[4-(phenylthio)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S2/c1-16(2)17-11-12-19-20(14-17)30-23(25(19)15-22(27)28-3)24-21(26)10-7-13-29-18-8-5-4-6-9-18/h4-6,8-9,11-12,14,16H,7,10,13,15H2,1-3H3