[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-phenethyl-azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-phenethyl-azanium Openeye Name: [2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-phenethylammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-phenethylazanium Traditional Name: [2-[(3-carbethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl]-phenethyl-ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH2+]CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH2+]CCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c1-2-25-20(24)18-15-9-6-10-16(15)26-19(18)22-17(23)13-21-12-11-14-7-4-3-5-8-14/h3-5,7-8,21H,2,6,9-13H2,1H3,(H,22,23)/p+1