[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-benzamido-3-phenyl-propanoate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (3R)-3-benzamido-3-phenyl-propanoate CAS Name: (3R)-3-benzamido-3-phenylpropanoic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate Traditional Name: (3R)-3-benzamido-3-phenyl-propionic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C[C@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5S/c1-33-19-12-13-20-22(14-19)35-26(28-20)29-23(30)16-34-24(31)15-21(17-8-4-2-5-9-17)27-25(32)18-10-6-3-7-11-18/h2-14,21H,15-16H2,1H3,(H,27,32)(H,28,29,30)/t21-/m1/s1