[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21N3O4S/c1-2-22-21(27)24-20(26)19(14-8-4-3-5-9-14)28-18(25)13-12-17-23-15-10-6-7-11-16(15)29-17/h3-11,19H,2,12-13H2,1H3,(H2,22,24,26,27)/t19-/m0/s1