[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]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-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C20H18N2O4S/c1-20(11-21,13-6-7-13)22-17(23)10-26-19(24)16-8-12-9-25-15-5-3-2-4-14(15)18(12)27-16/h2-5,8,13H,6-7,9-10H2,1H3,(H,22,23)/t20-/m0/s1