[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(prop-2-enyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(prop-2-enyl)azanium Openeye Name: diallyl-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-bis(prop-2-enyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-bis(prop-2-enyl)azanium Traditional Name: diallyl-[2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+](CC=C)CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+](CC=C)CC=C

InChI

InChI=1S/C21H24N2O3S/c1-4-12-23(13-5-2)15-19(24)22-20-17(21(25)26-6-3)14-18(27-20)16-10-8-7-9-11-16/h4-5,7-11,14H,1-2,6,12-13,15H2,3H3,(H,22,24)/p+1