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

Systemtic Name: methyl 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoate CAS Name: 2-methoxy-5-[[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C20H23NO4S/c1-24-16-9-8-13(10-15(16)20(23)25-2)12-21-19(22)18-11-14-6-4-3-5-7-17(14)26-18/h8-11H,3-7,12H2,1-2H3,(H,21,22)