methyl 2-[2-(4-oxidanylidene-2-phenyl-chromen-3-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-oxidanylidene-2-phenyl-chromen-3-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(4-oxo-2-phenyl-chromen-3-yl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-2-phenyl-1-benzopyran-3-yl)oxy]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-oxo-2-phenylchromen-3-yl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-keto-2-phenyl-chromen-3-yl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C28H25NO6S MolecularWeight: 503.5662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C28H25NO6S/c1-16(26(31)29-27-22(28(32)33-2)19-13-7-9-15-21(19)36-27)34-25-23(30)18-12-6-8-14-20(18)35-24(25)17-10-4-3-5-11-17/h3-6,8,10-12,14,16H,7,9,13,15H2,1-2H3,(H,29,31)