[4-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethoxy]phenyl] ethanoate

Systemtic Name: [4-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethoxy]phenyl] ethanoate Openeye Name: [4-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethoxy]phenyl] acetate CAS Name: acetic acid [4-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethoxy]phenyl] ester IUPAC Name: [4-[2-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl] acetate Traditional Name: acetic acid [4-[2-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-2-keto-ethoxy]phenyl] ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C24H24N2O4S2/c1-3-4-5-6-7-14-31-24-26-21-13-8-18(15-22(21)32-24)25-23(28)16-29-19-9-11-20(12-10-19)30-17(2)27/h8-13,15H,3-4,7,14,16H2,1-2H3,(H,25,28)