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

Systemtic Name: (2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-hydroxyphenyl)propionate Formula: C19H17N2O4S- MolecularWeight: 369.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C19H18N2O4S/c22-13-7-5-12(6-8-13)11-15(19(24)25)20-17(23)9-10-18-21-14-3-1-2-4-16(14)26-18/h1-8,15,22H,9-11H2,(H,20,23)(H,24,25)/p-1/t15-/m1/s1