methyl 2-[2-oxidanylidene-4-(5-pyrrolidin-2-ylthiophen-2-yl)carbonyl-piperazin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-4-(5-pyrrolidin-2-ylthiophen-2-yl)carbonyl-piperazin-1-yl]ethanoate Openeye Name: methyl 2-[2-oxo-4-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperazin-1-yl]acetate CAS Name: 2-[2-oxo-4-[oxo-[5-(2-pyrrolidinyl)-2-thiophenyl]methyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-oxo-4-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperazin-1-yl]acetate Traditional Name: 2-[2-keto-4-(5-pyrrolidin-2-ylthiophene-2-carbonyl)piperazino]acetic acid methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCN(CC1=O)C(=O)C2=CC=C(S2)C3CCCN3

Isomeric SMILES

COC(=O)CN1CCN(CC1=O)C(=O)C2=CC=C(S2)C3CCCN3

InChI

InChI=1S/C16H21N3O4S/c1-23-15(21)10-18-7-8-19(9-14(18)20)16(22)13-5-4-12(24-13)11-3-2-6-17-11/h4-5,11,17H,2-3,6-10H2,1H3