diethyl 2-[4-(5-ethoxycarbonyl-3-methyl-thiophen-2-yl)-2-(phenylmethoxycarbonylaminomethyl)butyl]propanedioate

Systemtic Name: diethyl 2-[4-(5-ethoxycarbonyl-3-methyl-thiophen-2-yl)-2-(phenylmethoxycarbonylaminomethyl)butyl]propanedioate Openeye Name: diethyl 2-[2-(benzyloxycarbonylaminomethyl)-4-(5-ethoxycarbonyl-3-methyl-2-thienyl)butyl]propanedioate CAS Name: 2-[4-(5-ethoxycarbonyl-3-methyl-2-thiophenyl)-2-(phenylmethoxycarbonylaminomethyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(5-ethoxycarbonyl-3-methylthiophen-2-yl)-2-(phenylmethoxycarbonylaminomethyl)butyl]propanedioate Traditional Name: 2-[2-(benzyloxycarbonylaminomethyl)-4-(5-carbethoxy-3-methyl-2-thienyl)butyl]malonic acid diethyl ester Formula: C28H37NO8S MolecularWeight: 547.66028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)CCC(CC(C(=O)OCC)C(=O)OCC)CNC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)CCC(CC(C(=O)OCC)C(=O)OCC)CNC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C28H37NO8S/c1-5-34-25(30)22(26(31)35-6-2)16-21(17-29-28(33)37-18-20-11-9-8-10-12-20)13-14-23-19(4)15-24(38-23)27(32)36-7-3/h8-12,15,21-22H,5-7,13-14,16-18H2,1-4H3,(H,29,33)