(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1H-indol-3-yl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(1H-indol-3-yl)-2-(2-thenoylamino)propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C27H22N2O5S MolecularWeight: 486.53898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H22N2O5S/c1-16-8-9-20-18(13-25(30)34-23(20)11-16)15-33-27(32)22(29-26(31)24-7-4-10-35-24)12-17-14-28-21-6-3-2-5-19(17)21/h2-11,13-14,22,28H,12,15H2,1H3,(H,29,31)