methyl (6S)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[2-(4-ethylpiperazin-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(4-ethylpiperazino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)OC

InChI

InChI=1S/C19H29N3O3S/c1-4-21-7-9-22(10-8-21)12-16(23)20-18-17(19(24)25-3)14-6-5-13(2)11-15(14)26-18/h13H,4-12H2,1-3H3,(H,20,23)/t13-/m0/s1