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

Systemtic Name: methyl 2-[2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-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-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21ClN4O6S2 MolecularWeight: 537.00834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H21ClN4O6S2/c1-12-9-15(22(30)33-2)20(34-12)24-17(28)11-25-5-7-26(8-6-25)21(29)19-18(23)14-4-3-13(27(31)32)10-16(14)35-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,24,28)