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

Systemtic Name: [2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: [2-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-(4-fluorobenzyl)ammonium Formula: C18H21FN3O4S+ MolecularWeight: 394.440443

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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=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH2+]CC2=CC=C(C=C2)F

InChI

InChI=1S/C18H20FN3O4S/c1-3-26-18(25)14-10(2)15(16(20)24)27-17(14)22-13(23)9-21-8-11-4-6-12(19)7-5-11/h4-7,21H,3,8-9H2,1-2H3,(H2,20,24)(H,22,23)/p+1