[2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-(2-furanylmethyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: [2-[(3-carbethoxy-5-carbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C17H21N2O6S+ MolecularWeight: 381.42344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C[NH2+]CC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C[NH2+]CC2=CC=CO2

InChI

InChI=1S/C17H20N2O6S/c1-4-24-16(21)13-10(2)14(17(22)23-3)26-15(13)19-12(20)9-18-8-11-6-5-7-25-11/h5-7,18H,4,8-9H2,1-3H3,(H,19,20)/p+1