[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-prop-2-enoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] (Z)-3-(m-tolyl)-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-(3-methylphenyl)-2-thiophen-2-yl-2-propenoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (Z)-3-(3-methylphenyl)-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-(m-tolyl)-2-(2-thienyl)acrylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(\C2=CC=CS2)/C(=O)O[C@@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C20H22N2O4S/c1-12(2)17(18(23)22-20(21)25)26-19(24)15(16-8-5-9-27-16)11-14-7-4-6-13(3)10-14/h4-12,17H,1-3H3,(H3,21,22,23,25)/b15-11+/t17-/m0/s1