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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-(2,2-dimethylpropanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (7-hydroxy-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-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-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-chromen-4-yl)methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)(C)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C21H21NO6S/c1-11-7-16(22-20(26)21(2,3)4)29-18(11)19(25)27-10-12-8-17(24)28-15-9-13(23)5-6-14(12)15/h5-9,23H,10H2,1-4H3,(H,22,26)