(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 5-acetamidothiophene-2-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 5-acetamidothiophene-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 5-acetamidothiophene-2-carboxylate CAS Name: 5-acetamido-2-thiophenecarboxylic 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 5-acetamidothiophene-2-carboxylate Traditional Name: 5-acetamidothiophene-2-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(S3)NC(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(S3)NC(=O)C)C(C)C

InChI

InChI=1S/C21H21NO5S/c1-11(2)15-9-16-14(8-20(24)27-17(16)7-12(15)3)10-26-21(25)18-5-6-19(28-18)22-13(4)23/h5-9,11H,10H2,1-4H3,(H,22,23)