(3S)-3-azaniumyl-3-[4-[(2-chloranyl-1,3-thiazol-5-yl)methoxy]-3-methoxy-phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[4-[(2-chloranyl-1,3-thiazol-5-yl)methoxy]-3-methoxy-phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[4-[(2-chlorothiazol-5-yl)methoxy]-3-methoxy-phenyl]propanoate CAS Name: (3S)-3-ammonio-3-[4-[(2-chloro-5-thiazolyl)methoxy]-3-methoxyphenyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl]propanoate Traditional Name: (3S)-3-ammonio-3-[4-[(2-chlorothiazol-5-yl)methoxy]-3-methoxy-phenyl]propionate Formula: C14H15ClN2O4S MolecularWeight: 342.7979

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])OCC2=CN=C(S2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])OCC2=CN=C(S2)Cl

InChI

InChI=1S/C14H15ClN2O4S/c1-20-12-4-8(10(16)5-13(18)19)2-3-11(12)21-7-9-6-17-14(15)22-9/h2-4,6,10H,5,7,16H2,1H3,(H,18,19)/t10-/m0/s1