propan-2-yl 2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(1-oxidanylideneisochromen-3-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: isopropyl 2-[(1-oxoisochromene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(1-oxo-2-benzopyran-3-yl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(1-oxoisochromene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochromene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid isopropyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H23NO5S/c1-13(2)28-23(27)19-16-10-4-3-5-11-18(16)30-21(19)24-20(25)17-12-14-8-6-7-9-15(14)22(26)29-17/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,24,25)