methyl (2R)-2-[phenylcarbonyl(prop-2-ynyl)amino]-2-(thiophen-2-ylmethyl)penta-3,4-dienoate

Systemtic Name: methyl (2R)-2-[phenylcarbonyl(prop-2-ynyl)amino]-2-(thiophen-2-ylmethyl)penta-3,4-dienoate Openeye Name: methyl (2R)-2-[benzoyl(prop-2-ynyl)amino]-2-(2-thienylmethyl)penta-3,4-dienoate CAS Name: (2R)-2-[benzoyl(prop-2-ynyl)amino]-2-(thiophen-2-ylmethyl)penta-3,4-dienoic acid methyl ester IUPAC Name: methyl (2R)-2-[benzoyl(prop-2-ynyl)amino]-2-(thiophen-2-ylmethyl)penta-3,4-dienoate Traditional Name: (2R)-2-[benzoyl(propargyl)amino]-2-(2-thenyl)penta-3,4-dienoic acid methyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CS1)(C=C=C)N(CC#C)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@@](CC1=CC=CS1)(C=C=C)N(CC#C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H19NO3S/c1-4-13-21(20(24)25-3,16-18-12-9-15-26-18)22(14-5-2)19(23)17-10-7-6-8-11-17/h2,6-13,15H,1,14,16H2,3H3/t21-/m0/s1