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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]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-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)C3=CSC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCNC(=O)C3=CSC=C3)C(C)C

InChI

InChI=1S/C22H23NO5S/c1-13(2)17-10-18-16(9-21(25)28-19(18)8-14(17)3)11-27-20(24)4-6-23-22(26)15-5-7-29-12-15/h5,7-10,12-13H,4,6,11H2,1-3H3,(H,23,26)