ethyl 2-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]phenyl]acetate CAS Name: 2-[4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]phenyl]acetate Traditional Name: 2-[4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]phenyl]acetic acid ethyl ester Formula: C20H22N2O4S3 MolecularWeight: 450.59468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N2O4S3/c1-2-26-19(23)14-15-8-10-16(11-9-15)22-29(24,25)13-5-12-27-20-21-17-6-3-4-7-18(17)28-20/h3-4,6-11,22H,2,5,12-14H2,1H3