[2-[(3-ethoxycarbonyl-4-methyl-5-prop-2-enoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4-methyl-5-prop-2-enoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [2-[(5-allyloxycarbonyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-methyl-5-[oxo(prop-2-enoxy)methyl]-2-thiophenyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-4-methyl-5-prop-2-enoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-[(5-allyloxycarbonyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C20H30N3O6S+ MolecularWeight: 440.5337

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(C(=C(S1)C(=O)OCC=C)C)C(=O)OCC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(C(=C(S1)C(=O)OCC=C)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O6S/c1-6-9-21-14(24)11-23(5)12-15(25)22-18-16(19(26)28-8-3)13(4)17(30-18)20(27)29-10-7-2/h7H,2,6,8-12H2,1,3-5H3,(H,21,24)(H,22,25)/p+1