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

Systemtic Name: (2-aminocarbonylbenzo[f]chromen-3-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium Openeye Name: (2-carbamoylbenzo[f]chromen-3-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)ammonium CAS Name: (2-carbamoyl-3-benzo[f][1]benzopyranylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ammonium IUPAC Name: (2-carbamoylbenzo[f]chromen-3-ylidene)-(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)azanium Traditional Name: (2-carbamoylbenzo[f]chromen-3-ylidene)-(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)ammonium Formula: C25H23N2O4S+ MolecularWeight: 447.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)[NH+]=C3C(=CC4=C(O3)C=CC5=CC=CC=C54)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)[NH+]=C3C(=CC4=C(O3)C=CC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C25H22N2O4S/c1-2-30-25(29)21-16-9-5-6-10-20(16)32-24(21)27-23-18(22(26)28)13-17-15-8-4-3-7-14(15)11-12-19(17)31-23/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H2,26,28)/p+1