methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S/c1-25-20(24)16(13-14-7-3-2-4-8-14)21-18(23)11-12-19-22-15-9-5-6-10-17(15)26-19/h2-10,16H,11-13H2,1H3,(H,21,23)