ethyl 4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonyl-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(3-carbethoxy-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H29N3O6S/c1-5-27-17(24)15-13-11-20(3,4)29-12-14(13)30-16(15)21-18(25)22-7-9-23(10-8-22)19(26)28-6-2/h5-12H2,1-4H3,(H,21,25)