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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (6,7-dimethyl-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 (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-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 (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C)C

InChI

InChI=1S/C23H23NO5S/c1-12-8-17-15(10-20(26)29-18(17)9-13(12)2)11-28-23(27)21-16-6-4-5-7-19(16)30-22(21)24-14(3)25/h8-10H,4-7,11H2,1-3H3,(H,24,25)