N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanamide Openeye Name: 3-[4-(4-methoxyphenyl)-3-oxo-quinoxalin-2-yl]-N-[(4S)-thiochroman-4-yl]propanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-[4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]propanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide Traditional Name: 3-[3-keto-4-(4-methoxyphenyl)quinoxalin-2-yl]-N-[(4S)-thiochroman-4-yl]propionamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)NC4CCSC5=CC=CC=C45

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N[C@H]4CCSC5=CC=CC=C45

InChI

InChI=1S/C27H25N3O3S/c1-33-19-12-10-18(11-13-19)30-24-8-4-3-7-22(24)28-23(27(30)32)14-15-26(31)29-21-16-17-34-25-9-5-2-6-20(21)25/h2-13,21H,14-17H2,1H3,(H,29,31)/t21-/m0/s1