methyl 3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(5-chloro-2-hydroxy-phenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(5-chloro-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-chloro-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(5-chloro-2-hydroxy-benzyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NCC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NCC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C15H16ClNO3S/c1-20-15(19)8-12(14-3-2-6-21-14)17-9-10-7-11(16)4-5-13(10)18/h2-7,12,17-18H,8-9H2,1H3