[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-3-15-8-10-16(11-9-15)22-21(25)14(2)27-20(24)13-26-12-19-23-17-6-4-5-7-18(17)28-19/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)/t14-/m0/s1