methyl 2-[1-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]piperazin-2-yl]acetate CAS Name: 2-[1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]piperazin-2-yl]acetic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3CCNC(=O)C3CC(=O)OC

InChI

InChI=1S/C21H25N3O4S/c1-14-5-7-15(8-6-14)20(17-4-3-11-29-17)23-18(25)13-24-10-9-22-21(27)16(24)12-19(26)28-2/h3-8,11,16,20H,9-10,12-13H2,1-2H3,(H,22,27)(H,23,25)