ethyl 2-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-hydroxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-hydroxyphenyl)piperazino]acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H29N3O4S/c1-4-29-22(28)16-13-19(15(2)3)30-21(16)23-20(27)14-24-9-11-25(12-10-24)17-7-5-6-8-18(17)26/h5-8,13,15,26H,4,9-12,14H2,1-3H3,(H,23,27)