ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-piperidin-1-yl-benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-piperidin-1-yl-benzoate Openeye Name: ethyl 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(1-piperidyl)benzoate CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(1-piperidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-piperidin-1-ylbenzoate Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-piperidino-benzoic acid ethyl ester Formula: C23H23ClN2O3S MolecularWeight: 442.95832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H23ClN2O3S/c1-2-29-23(28)15-10-11-18(26-12-6-3-7-13-26)17(14-15)25-22(27)21-20(24)16-8-4-5-9-19(16)30-21/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,25,27)