methyl 3-[[4-[2-(1-benzothiophen-3-yl)ethanoyl]piperazin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[2-(1-benzothiophen-3-yl)ethanoyl]piperazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[2-(benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[2-(1-benzothiophen-3-yl)-1-oxoethyl]-1-piperazinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[2-(1-benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[2-(benzothiophen-3-yl)acetyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O4S2/c1-28-20(26)19-16(6-11-29-19)22-21(27)24-9-7-23(8-10-24)18(25)12-14-13-30-17-5-3-2-4-15(14)17/h2-6,11,13H,7-10,12H2,1H3,(H,22,27)