ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-(5-methylfuran-2-yl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-(5-methylfuran-2-yl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-(5-methyl-2-furyl)-2-thienyl]amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[[3-ethoxycarbonyl-4-(5-methyl-2-furanyl)-2-thiophenyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-(5-methylfuran-2-yl)thiophen-2-yl]amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[[3-carbethoxy-4-(5-methyl-2-furyl)-2-thienyl]amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(O3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=C(C(=CS2)C3=CC=C(O3)C)C(=O)OCC

InChI

InChI=1S/C22H28N2O6S/c1-4-28-21(26)15-7-6-10-24(11-15)12-18(25)23-20-19(22(27)29-5-2)16(13-31-20)17-9-8-14(3)30-17/h8-9,13,15H,4-7,10-12H2,1-3H3,(H,23,25)/t15-/m0/s1