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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-5-28-21(27)16-11-17(15-9-7-6-8-10-15)29-20(16)23-19(26)13-24(4)12-18(25)22-14(2)3/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)(H,23,26)/p+1