ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(5-phenyl-2,3-dihydro-1,4-oxathiin-6-yl)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-phenyl-2,3-dihydro-1,4-oxathiine-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-phenyl-2,3-dihydro-1,4-oxathiin-6-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO4S2/c1-2-25-21(24)16-14-9-6-10-15(14)28-20(16)22-19(23)17-18(27-12-11-26-17)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,22,23)