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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c19-18(23)21-14(10-12-6-2-1-3-7-12)17(22)24-11-16-20-13-8-4-5-9-15(13)25-16/h1-9,14H,10-11H2,(H3,19,21,23)/t14-/m0/s1