(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic 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 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H23NO6S2 MolecularWeight: 449.54042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S2/c1-13(2)16-11-17-15(10-20(24)28-18(17)9-14(16)3)12-27-19(23)6-7-22-30(25,26)21-5-4-8-29-21/h4-5,8-11,13,22H,6-7,12H2,1-3H3