ethyl 2-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-hydroxy-phenyl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(5-chloro-2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-hydroxyphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-hydroxy-benzyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C18H20ClNO3S/c1-2-23-18(22)16-13-5-3-4-6-15(13)24-17(16)20-10-11-9-12(19)7-8-14(11)21/h7-9,20-21H,2-6,10H2,1H3