methyl 4-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 4-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 4-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)methyl]benzoate CAS Name: 4-[[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)methyl]benzoate Traditional Name: 4-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)methyl]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)13-8-6-12(7-9-13)11-19-17(20)16-10-14-4-2-3-5-15(14)23-16/h6-10H,2-5,11H2,1H3,(H,19,20)