[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[NH+](C)CC(=O)NC3CC3

InChI

InChI=1S/C21H25N3O4S/c1-3-28-21(27)16-11-17(14-7-5-4-6-8-14)29-20(16)23-19(26)13-24(2)12-18(25)22-15-9-10-15/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,22,25)(H,23,26)/p+1