ethyl 2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-(3-ketopiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCNC(=O)C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CN2CCNC(=O)C2

InChI

InChI=1S/C16H23N3O4S/c1-4-23-16(22)11-7-12(10(2)3)24-15(11)18-14(21)9-19-6-5-17-13(20)8-19/h7,10H,4-6,8-9H2,1-3H3,(H,17,20)(H,18,21)