(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(thiophen-2-ylcarbonylamino)ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic 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 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic 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)CNC(=O)C3=CC=CS3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C3=CC=CS3)C(C)C

InChI

InChI=1S/C21H21NO5S/c1-12(2)15-9-16-14(8-19(23)27-17(16)7-13(15)3)11-26-20(24)10-22-21(25)18-5-4-6-28-18/h4-9,12H,10-11H2,1-3H3,(H,22,25)