(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-3-methyl-2-thiophenecarboxylic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 3-methyl-5-(pivaloylamino)thiophene-2-carboxylic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H23NO6S MolecularWeight: 429.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C22H23NO6S/c1-11-8-16(23-21(27)22(3,4)5)30-19(11)20(26)28-10-13-9-17(25)29-18-12(2)15(24)7-6-14(13)18/h6-9,24H,10H2,1-5H3,(H,23,27)