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

Systemtic Name: ethyl 5-[2-[4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC3CC3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C(C)C(=O)NC3CC3)C

InChI

InChI=1S/C20H30N4O4S/c1-4-28-20(27)18-13(2)11-17(29-18)22-16(25)12-23-7-9-24(10-8-23)14(3)19(26)21-15-5-6-15/h11,14-15H,4-10,12H2,1-3H3,(H,21,26)(H,22,25)