ethyl 3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C24H25ClN4O5S MolecularWeight: 516.9971

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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=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H25ClN4O5S/c1-3-27-10-12-28(13-11-27)18-9-8-15(24(31)34-4-2)14-17(18)26-23(30)22-20(25)16-6-5-7-19(29(32)33)21(16)35-22/h5-9,14H,3-4,10-13H2,1-2H3,(H,26,30)