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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (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-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-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-7-methyl-chromen-4-yl)methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C22H21NO5S/c1-12-7-8-15-14(10-19(25)28-17(15)9-12)11-27-22(26)20-16-5-3-4-6-18(16)29-21(20)23-13(2)24/h7-10H,3-6,11H2,1-2H3,(H,23,24)