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

Systemtic Name: methyl 4-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)ethyl]benzoate Openeye Name: methyl 4-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)ethyl]benzoate CAS Name: 4-[2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)ethyl]benzoate Traditional Name: 4-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)ethyl]benzoic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-23-19(22)14-8-6-13(7-9-14)10-11-20-18(21)17-12-15-4-2-3-5-16(15)24-17/h6-9,12H,2-5,10-11H2,1H3,(H,20,21)