ethyl 1-[2-(2-chloranyl-9H-thioxanthen-9-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(2-chloranyl-9H-thioxanthen-9-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-chloro-9H-thioxanthen-9-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(2-chloro-9H-thioxanthen-9-yl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chloro-9H-thioxanthen-9-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2-chloro-9H-thioxanthen-9-yl)acetyl]nipecotic acid ethyl ester Formula: C23H24ClNO3S MolecularWeight: 429.95956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C23H24ClNO3S/c1-2-28-23(27)15-6-5-11-25(14-15)22(26)13-18-17-7-3-4-8-20(17)29-21-10-9-16(24)12-19(18)21/h3-4,7-10,12,15,18H,2,5-6,11,13-14H2,1H3