[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H17N3O4S/c21-7-3-9-23(10-4-8-22)18(24)13-27-20(25)17-11-14-12-26-16-6-2-1-5-15(16)19(14)28-17/h1-2,5-6,11H,3-4,9-10,12-13H2