[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C(=CC1=CC(=CC=C1)C)C2=CC=CS2

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)/C(=C/C1=CC(=CC=C1)C)/C2=CC=CS2

InChI

InChI=1S/C21H25NO3S/c1-4-7-16(3)22-20(23)14-25-21(24)18(19-10-6-11-26-19)13-17-9-5-8-15(2)12-17/h5-6,8-13,16H,4,7,14H2,1-3H3,(H,22,23)/b18-13+/t16-/m0/s1