methyl 2-[2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23ClN4O6S2 MolecularWeight: 551.03492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)OC

InChI

InChI=1S/C23H23ClN4O6S2/c1-3-14-11-16(23(31)34-2)21(35-14)25-18(29)12-26-6-8-27(9-7-26)22(30)20-19(24)15-5-4-13(28(32)33)10-17(15)36-20/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,25,29)