[3-(1H-benzimidazol-2-yl)-6-methoxy-chromen-2-ylidene]-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium

Systemtic Name: [3-(1H-benzimidazol-2-yl)-6-methoxy-chromen-2-ylidene]-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium Openeye Name: [3-(1H-benzimidazol-2-yl)-6-methoxy-chromen-2-ylidene]-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)ammonium CAS Name: [3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-ylidene]-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ammonium IUPAC Name: [3-(1H-benzimidazol-2-yl)-6-methoxychromen-2-ylidene]-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium Traditional Name: [3-(1H-benzimidazol-2-yl)-6-methoxy-chromen-2-ylidene]-(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)ammonium Formula: C28H26N3O4S+ MolecularWeight: 500.58874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)[NH+]=C3C(=CC4=C(O3)C=CC(=C4)OC)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)[NH+]=C3C(=CC4=C(O3)C=CC(=C4)OC)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H25N3O4S/c1-3-34-28(32)24-18-8-4-7-11-23(18)36-27(24)31-26-19(25-29-20-9-5-6-10-21(20)30-25)15-16-14-17(33-2)12-13-22(16)35-26/h5-6,9-10,12-15H,3-4,7-8,11H2,1-2H3,(H,29,30)/p+1