propan-2-yl 2-[2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C27H29Cl2N3O4S2 MolecularWeight: 594.57286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C27H29Cl2N3O4S2/c1-15(2)36-27(35)22-17-5-3-4-6-19(17)38-25(22)30-21(33)14-31-9-11-32(12-10-31)26(34)24-23(29)18-8-7-16(28)13-20(18)37-24/h7-8,13,15H,3-6,9-12,14H2,1-2H3,(H,30,33)