methyl 2-[2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H23ClN4O6S2 MolecularWeight: 599.07772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H23ClN4O6S2/c1-38-27(35)22-19(16-5-3-2-4-6-16)15-39-25(22)29-21(33)14-30-9-11-31(12-10-30)26(34)24-23(28)18-8-7-17(32(36)37)13-20(18)40-24/h2-8,13,15H,9-12,14H2,1H3,(H,29,33)