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

Systemtic Name: methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamoyl]benzoate Openeye Name: methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzoate CAS Name: 4-[oxo-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzoate Traditional Name: 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-25-19(24)13-9-7-12(8-10-13)17(22)20-21-18(23)16-11-14-5-3-2-4-6-15(14)26-16/h7-11H,2-6H2,1H3,(H,20,22)(H,21,23)