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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-2-[[2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C25H26ClN5O7S2 MolecularWeight: 608.08624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl)C(=O)N

InChI

InChI=1S/C25H26ClN5O7S2/c1-12(2)38-25(35)18-13(3)20(22(27)33)40-23(18)28-17(32)11-29-6-8-30(9-7-29)24(34)21-19(26)15-5-4-14(31(36)37)10-16(15)39-21/h4-5,10,12H,6-9,11H2,1-3H3,(H2,27,33)(H,28,32)