1,3-benzothiazol-2-ylmethyl (3R)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (3R)-3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (3R)-3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: (3R)-3-(4-chlorophenyl)-3-ureido-propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CC(C3=CC=C(C=C3)Cl)NC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C[C@H](C3=CC=C(C=C3)Cl)NC(=O)N

InChI

InChI=1S/C18H16ClN3O3S/c19-12-7-5-11(6-8-12)14(22-18(20)24)9-17(23)25-10-16-21-13-3-1-2-4-15(13)26-16/h1-8,14H,9-10H2,(H3,20,22,24)/t14-/m1/s1