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

Systemtic Name: 2-[2-(4-methylphenoxy)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: 2-[[2-(4-methylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-methylphenoxy)-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate IUPAC Name: 2-[[2-(4-methylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylphenoxy)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Formula: C19H20NO4S- MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)[O-]

InChI

InChI=1S/C19H21NO4S/c1-12-7-9-13(10-8-12)24-11-16(21)20-18-17(19(22)23)14-5-3-2-4-6-15(14)25-18/h7-10H,2-6,11H2,1H3,(H,20,21)(H,22,23)/p-1