methyl 4-[(E,1R)-2-propyl-1-(thiophen-2-ylcarbonylamino)hex-2-enyl]benzoate

Systemtic Name: methyl 4-[(E,1R)-2-propyl-1-(thiophen-2-ylcarbonylamino)hex-2-enyl]benzoate Openeye Name: methyl 4-[(E,1R)-2-propyl-1-(thiophene-2-carbonylamino)hex-2-enyl]benzoate CAS Name: 4-[(E,1R)-1-[[oxo(thiophen-2-yl)methyl]amino]-2-propylhex-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E,1R)-2-propyl-1-(thiophene-2-carbonylamino)hex-2-enyl]benzoate Traditional Name: 4-[(E,1R)-2-propyl-1-(2-thenoylamino)hex-2-enyl]benzoic acid methyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CCC)C(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-4-6-9-16(8-5-2)20(23-21(24)19-10-7-15-27-19)17-11-13-18(14-12-17)22(25)26-3/h7,9-15,20H,4-6,8H2,1-3H3,(H,23,24)/b16-9+/t20-/m1/s1