methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoate CAS Name: 4-[[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoate Traditional Name: 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]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)CNC(=O)C2=CC3=C(S2)CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCCC3

InChI

InChI=1S/C19H21NO3S/c1-23-19(22)14-9-7-13(8-10-14)12-20-18(21)17-11-15-5-3-2-4-6-16(15)24-17/h7-11H,2-6,12H2,1H3,(H,20,21)