(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-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 (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-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 (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C)C(C)C

InChI

InChI=1S/C25H27NO5S/c1-13(2)18-11-19-16(10-22(28)31-20(19)9-14(18)3)12-30-25(29)23-17-7-5-6-8-21(17)32-24(23)26-15(4)27/h9-11,13H,5-8,12H2,1-4H3,(H,26,27)