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

Systemtic Name: ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C24H26ClN3O3S/c1-3-27-11-13-28(14-12-27)19-10-9-16(24(30)31-4-2)15-18(19)26-23(29)22-21(25)17-7-5-6-8-20(17)32-22/h5-10,15H,3-4,11-14H2,1-2H3,(H,26,29)