methyl (2S)-2-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(1,3-benzothiazol-2-ylmethoxy)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O4S/c1-25-20(24)16(11-14-7-3-2-4-8-14)21-18(23)12-26-13-19-22-15-9-5-6-10-17(15)27-19/h2-10,16H,11-13H2,1H3,(H,21,23)/t16-/m0/s1