[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O5S2/c1-2-26-15-7-9-16(10-8-15)27-12-11-22-19(24)13-28-20(25)14-29-21-23-17-5-3-4-6-18(17)30-21/h3-10H,2,11-14H2,1H3,(H,22,24)