1,3-benzothiazol-2-ylmethyl 3-(phenylcarbamoylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(phenylcarbamoylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)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)NC(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O3S/c22-17(10-11-19-18(23)20-13-6-2-1-3-7-13)24-12-16-21-14-8-4-5-9-15(14)25-16/h1-9H,10-12H2,(H2,19,20,23)