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

Systemtic Name: 2-[[3,5-bis(methoxycarbonyl)-4-methyl-thiophen-2-yl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thienyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3,5-bis(methoxycarbonyl)-4-methyl-2-thiophenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(3,5-dicarbomethoxy-4-methyl-2-thienyl)sulfonylamino]-3-phenyl-propionic acid Formula: C18H19NO8S2 MolecularWeight: 441.47536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O)C(=O)OC

InChI

InChI=1S/C18H19NO8S2/c1-10-13(16(22)26-2)18(28-14(10)17(23)27-3)29(24,25)19-12(15(20)21)9-11-7-5-4-6-8-11/h4-8,12,19H,9H2,1-3H3,(H,20,21)