(3S)-4-[(4-ethoxycarbonylphenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-[(4-ethoxycarbonylphenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-(4-ethoxycarbonylanilino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-(4-ethoxycarbonylanilino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-(4-ethoxycarbonylanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-(4-carbethoxyanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C18H20N2O6/c1-2-25-18(24)12-5-7-13(8-6-12)20-17(23)15(10-16(21)22)19-11-14-4-3-9-26-14/h3-9,15,19H,2,10-11H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1