5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[[3-ethoxycarbonyl-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]amino]-5-oxo-pentanoate CAS Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-5-oxopentanoate IUPAC Name: 5-[[4-[4-[(2S)-butan-2-yl]phenyl]-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-5-oxopentanoate Traditional Name: 5-[[3-carbethoxy-5-methyl-4-[4-[(1S)-1-methylpropyl]phenyl]-2-thienyl]amino]-5-keto-valerate Formula: C23H28NO5S- MolecularWeight: 430.53712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C23H29NO5S/c1-5-14(3)16-10-12-17(13-11-16)20-15(4)30-22(21(20)23(28)29-6-2)24-18(25)8-7-9-19(26)27/h10-14H,5-9H2,1-4H3,(H,24,25)(H,26,27)/p-1/t14-/m0/s1