4-[(3-methylthiophen-2-yl)methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3-methylthiophen-2-yl)methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-methyl-2-thienyl)methylamino]-4-oxo-butanoate CAS Name: 4-[(3-methyl-2-thiophenyl)methylamino]-4-oxobutanoate IUPAC Name: 4-[(3-methylthiophen-2-yl)methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(3-methyl-2-thienyl)methylamino]butyrate Formula: C10H12NO3S- MolecularWeight: 226.27218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C10H13NO3S/c1-7-4-5-15-8(7)6-11-9(12)2-3-10(13)14/h4-5H,2-3,6H2,1H3,(H,11,12)(H,13,14)/p-1