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

Systemtic Name: ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thiophenyl]amino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[[3-carbethoxy-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C(=C(S2)C(=O)NC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=C(C(=C(S2)C(=O)NC)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O6S/c1-5-28-19(26)13-8-7-9-23(10-13)11-14(24)22-18-15(20(27)29-6-2)12(3)16(30-18)17(25)21-4/h13H,5-11H2,1-4H3,(H,21,25)(H,22,24)/t13-/m0/s1