ethyl 2-(2-chloranylbutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-(2-chloranylbutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 2-(2-chlorobutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[(2-chloro-1-oxobutyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-chlorobutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-(2-chlorobutanoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C16H22ClNO4S MolecularWeight: 359.86818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC)Cl

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)COC(C2)(C)C)C(=O)OCC)Cl

InChI

InChI=1S/C16H22ClNO4S/c1-5-10(17)13(19)18-14-12(15(20)21-6-2)9-7-16(3,4)22-8-11(9)23-14/h10H,5-8H2,1-4H3,(H,18,19)