methyl 4-[(3-methyl-2-oxidanylidene-piperazin-1-yl)methyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-[(3-methyl-2-oxidanylidene-piperazin-1-yl)methyl]thiophene-2-carboxylate Openeye Name: methyl 4-[(3-methyl-2-oxo-piperazin-1-yl)methyl]thiophene-2-carboxylate CAS Name: 4-[(3-methyl-2-oxo-1-piperazinyl)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-methyl-2-oxopiperazin-1-yl)methyl]thiophene-2-carboxylate Traditional Name: 4-[(2-keto-3-methyl-piperazino)methyl]thiophene-2-carboxylic acid methyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1)CC2=CSC(=C2)C(=O)OC

Isomeric SMILES

CC1C(=O)N(CCN1)CC2=CSC(=C2)C(=O)OC

InChI

InChI=1S/C12H16N2O3S/c1-8-11(15)14(4-3-13-8)6-9-5-10(18-7-9)12(16)17-2/h5,7-8,13H,3-4,6H2,1-2H3