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

Systemtic Name: [2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)azanium Openeye Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-(2-furylmethyl)ammonium CAS Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-(2-furanylmethyl)ammonium IUPAC Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium Traditional Name: [2-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-(2-furfuryl)ammonium Formula: C16H20N3O5S+ MolecularWeight: 366.4121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-3-23-16(22)12-9(2)13(14(17)21)25-15(12)19-11(20)8-18-7-10-5-4-6-24-10/h4-6,18H,3,7-8H2,1-2H3,(H2,17,21)(H,19,20)/p+1