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

Systemtic Name: ethyl 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-chlorobenzothiophene-2-carbonyl)amino]benzoic acid ethyl ester Formula: C29H26ClN3O4S MolecularWeight: 548.05244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C29H26ClN3O4S/c1-2-37-29(36)20-12-13-23(32-14-16-33(17-15-32)28(35)19-8-4-3-5-9-19)22(18-20)31-27(34)26-25(30)21-10-6-7-11-24(21)38-26/h3-13,18H,2,14-17H2,1H3,(H,31,34)