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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(veratroylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C19H20NO5S- MolecularWeight: 374.4308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-])OC

InChI

InChI=1S/C19H21NO5S/c1-24-13-9-8-11(10-14(13)25-2)17(21)20-18-16(19(22)23)12-6-4-3-5-7-15(12)26-18/h8-10H,3-7H2,1-2H3,(H,20,21)(H,22,23)/p-1