[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C20H21NO4S/c22-18(21-9-5-1-2-6-10-21)13-25-20(23)17-11-14-12-24-16-8-4-3-7-15(16)19(14)26-17/h3-4,7-8,11H,1-2,5-6,9-10,12-13H2