methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

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