4-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylamino]butanoate

Systemtic Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylamino]butanoate Openeye Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]sulfonylamino]butanoate CAS Name: 4-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]sulfonylamino]butanoate IUPAC Name: 4-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]butanoate Traditional Name: 4-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)sulfonylamino]butyrate Formula: C13H16NO8S2- MolecularWeight: 378.39804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCCCC(=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NCCCC(=O)[O-])C(=O)OC

InChI

InChI=1S/C13H17NO8S2/c1-7-9(11(17)21-2)13(23-10(7)12(18)22-3)24(19,20)14-6-4-5-8(15)16/h14H,4-6H2,1-3H3,(H,15,16)/p-1