ethyl 2-[(2-ethoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-ethoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-ethoxyphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-ethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

InChI

InChI=1S/C21H25NO4S/c1-3-25-16-12-9-8-10-14(16)19(23)22-20-18(21(24)26-4-2)15-11-6-5-7-13-17(15)27-20/h8-10,12H,3-7,11,13H2,1-2H3,(H,22,23)