(3-aminocarbonyl-6-methoxy-chromen-2-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium

Systemtic Name: (3-aminocarbonyl-6-methoxy-chromen-2-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium Openeye Name: (3-carbamoyl-6-methoxy-chromen-2-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)ammonium CAS Name: (3-carbamoyl-6-methoxy-1-benzopyran-2-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ammonium IUPAC Name: (3-carbamoyl-6-methoxychromen-2-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium Traditional Name: (3-carbamoyl-6-methoxy-chromen-2-ylidene)-(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)ammonium Formula: C22H23N2O5S+ MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-3-28-22(26)18-14-6-4-5-7-17(14)30-21(18)24-20-15(19(23)25)11-12-10-13(27-2)8-9-16(12)29-20/h8-11H,3-7H2,1-2H3,(H2,23,25)/p+1