[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S2/c1-15(2)23(12-16-8-4-3-5-9-16)19(24)13-26-20(25)14-27-21-22-17-10-6-7-11-18(17)28-21/h3-11,15H,12-14H2,1-2H3