methyl 3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)benzoate Openeye Name: methyl 3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoate Traditional Name: 3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)13-7-5-8-14(10-13)19-17(20)16-11-12-6-3-2-4-9-15(12)23-16/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,19,20)