ethyl 6,6-bis(oxidanylidene)-2-(4-thiophen-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

Systemtic Name: ethyl 6,6-bis(oxidanylidene)-2-(4-thiophen-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Openeye Name: ethyl 6,6-dioxo-2-[4-(2-thienyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate CAS Name: 6,6-dioxo-2-[(1-oxo-4-thiophen-2-ylbutyl)amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dioxo-2-(4-thiophen-2-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate Traditional Name: 6,6-diketo-2-[4-(2-thienyl)butanoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid ethyl ester Formula: C18H21NO5S3 MolecularWeight: 427.55804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCS(=O)(=O)C2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCS(=O)(=O)C2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C18H21NO5S3/c1-2-24-18(21)16-13-8-10-27(22,23)11-14(13)26-17(16)19-15(20)7-3-5-12-6-4-9-25-12/h4,6,9H,2-3,5,7-8,10-11H2,1H3,(H,19,20)