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

Systemtic Name: ethyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)carbamoylamino]benzoate Openeye Name: ethyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoylamino]benzoate CAS Name: 4-[[oxo-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazo]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoylamino]benzoate Traditional Name: 4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoylamino]benzoic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-2-27-19(25)13-8-10-15(11-9-13)21-20(26)23-22-18(24)17-12-14-6-4-3-5-7-16(14)28-17/h8-12H,2-7H2,1H3,(H,22,24)(H2,21,23,26)