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

Systemtic Name: methyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3S/c1-3-26-10-12-27(13-11-26)18-9-8-15(23(29)30-2)14-17(18)25-22(28)21-20(24)16-6-4-5-7-19(16)31-21/h4-9,14H,3,10-13H2,1-2H3,(H,25,28)