ethyl 1-[5-(6-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)thiophen-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(6-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)thiophen-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carbonyl]nipecotic acid ethyl ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(S2)N3CCOC4=C3C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(S2)N3CCOC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-2-27-21(26)14-4-3-9-23(13-14)20(25)18-7-8-19(29-18)24-10-11-28-17-6-5-15(22)12-16(17)24/h5-8,12,14H,2-4,9-11,13H2,1H3