methyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(7-ethoxy-1-benzofuran-2-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(7-ethoxybenzofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(7-ethoxy-2-benzofuranyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(7-ethoxy-1-benzofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(7-ethoxybenzofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=C2)C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

InChI

InChI=1S/C22H23NO5S/c1-3-27-15-10-7-8-13-12-16(28-19(13)15)20(24)23-21-18(22(25)26-2)14-9-5-4-6-11-17(14)29-21/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,23,24)