[2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-[benzyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(S2)C=CC(=C3C)C

Isomeric SMILES

CCC(=O)OCC(=O)N(CC1=CC=CC=C1)C2=NC3=C(S2)C=CC(=C3C)C

InChI

InChI=1S/C21H22N2O3S/c1-4-19(25)26-13-18(24)23(12-16-8-6-5-7-9-16)21-22-20-15(3)14(2)10-11-17(20)27-21/h5-11H,4,12-13H2,1-3H3