ethyl 4-[[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C23H21ClN4O6S MolecularWeight: 516.95404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H21ClN4O6S/c1-2-34-22(30)14-3-5-15(6-4-14)25-23(31)27-11-9-26(10-12-27)21(29)20-19(24)17-8-7-16(28(32)33)13-18(17)35-20/h3-8,13H,2,9-12H2,1H3,(H,25,31)