1,3-benzothiazol-2-ylmethyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N2O4S/c25-21(18-10-6-12-27-18)24-17(13-15-7-2-1-3-8-15)22(26)28-14-20-23-16-9-4-5-11-19(16)29-20/h1-12,17H,13-14H2,(H,24,25)/t17-/m0/s1