ethyl (3S)-1-[2-[bis(3-methylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[bis(3-methylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[bis(3-methyl-2-thienyl)methyleneamino]oxyethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[bis(3-methyl-2-thiophenyl)methylideneamino]oxyethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[bis(3-methylthiophen-2-yl)methylideneamino]oxyethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[bis(3-methyl-2-thienyl)methyleneamino]oxyethyl]nipecotic acid ethyl ester Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCON=C(C2=C(C=CS2)C)C3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CCON=C(C2=C(C=CS2)C)C3=C(C=CS3)C

InChI

InChI=1S/C21H28N2O3S2/c1-4-25-21(24)17-6-5-9-23(14-17)10-11-26-22-18(19-15(2)7-12-27-19)20-16(3)8-13-28-20/h7-8,12-13,17H,4-6,9-11,14H2,1-3H3/t17-/m0/s1