(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C25H21NO5S/c1-14(27)26-24-23(18-8-4-5-9-20(18)32-24)25(29)30-13-16-12-21(28)31-19-11-10-15-6-2-3-7-17(15)22(16)19/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,26,27)