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

Systemtic Name: 4-[(3-aminocarbonyl-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-carbamoyl-5-ethoxycarbonyl-4-methyl-2-thienyl)amino]-4-oxo-butanoate CAS Name: 4-[(3-carbamoyl-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-carbamoyl-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-5-carbethoxy-4-methyl-2-thienyl)amino]-4-keto-butyrate Formula: C13H15N2O6S- MolecularWeight: 327.333

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC(=O)[O-])C(=O)N)C

InChI

InChI=1S/C13H16N2O6S/c1-3-21-13(20)10-6(2)9(11(14)19)12(22-10)15-7(16)4-5-8(17)18/h3-5H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)/p-1